Ethyl 3-({[(3R,4S)-4-{2-[(3,4-dimethoxybenzyl)amino]-2-oxoethyl}-3-ethyl-1-piperidinyl]carbonyl}amino)benzoate

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Systematic / IUPAC Name: Ethyl 3-[[(3R,4S)-4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-3-ethylpiperidine-1-carbonyl]amino]benzoate

ID: Reference8906

Other Names: Benzoic acid, 3-[[[(3R,4S)-4-[2-[[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-3-ethyl-1-piperidinyl]carbonyl]amino]-, ethyl ester;
NAT14-323761

Formula: C28H37N3O6

Spectral Data

Ethyl 3-({[(3R,4S)-4-{2-[(3,4-dimethoxybenzyl)amino]-2-oxoethyl}-3-ethyl-1-piperidinyl]carbonyl}amino)benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 5013
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 6/21/2023 12:16:47 PM
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Identificators

InChI InChI=1S/C28H37N3O6/c1-5-20-18-31(28(34)30-23-9-7-8-22(15-23)27(33)37-6-2)13-12-21(20)16-26(32)29-17-19-10-11-24(35-3)25(14-19)36-4/h7-11,14-15,20-21H,5-6,12-13,16-18H2,1-4H3,(H,29,32)(H,30,34)/t20-,21-/m0/s1
InChI Key VTGKDYYTGULBBW-SFTDATJTSA-N
Canonical SMILES CCC1CN(CCC1CC(=O)NCC2=CC(=C(C=C2)OC)OC)C(=O)NC3=CC=CC(=C3)C(=O)OCC
CAS
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Other Names Benzoic acid, 3-[[[(3R,4S)-4-[2-[[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-3-ethyl-1-piperidinyl]carbonyl]amino]-, ethyl ester;
NAT14-323761

In Other Databases

ChemSpider 10115518
PubChem 11941199