[(3R,4S)-3-(3,4-Dihydro-1-isoquinolinylmethyl)-1-(4-methoxybenzoyl)-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-3-(3,4-Dihydroisoquinolin-1-ylmethyl)-1-(4-methoxybenzoyl)piperidin-4-yl]acetic acid

ID: Reference8835

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-1-isoquinolinyl)methyl]-1-(4-methoxybenzoyl)-, (3R,4S)-;
NAT14-502276

Formula: C25H28N2O4

Spectral Data

[(3R,4S)-3-(3,4-Dihydro-1-isoquinolinylmethyl)-1-(4-methoxybenzoyl)-4-piperidinyl]acetic acid 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 1
No. of Spectra 2147
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2019 8:00:16 AM
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Identificators

InChI InChI=1S/C25H28N2O4/c1-31-21-8-6-18(7-9-21)25(30)27-13-11-19(15-24(28)29)20(16-27)14-23-22-5-3-2-4-17(22)10-12-26-23/h2-9,19-20H,10-16H2,1H3,(H,28,29)/t19-,20-/m0/s1
InChI Key JZRLEVJZMDSZCT-PMACEKPBSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)N2CCC(C(C2)CC3=NCCC4=CC=CC=C43)CC(=O)O
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Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-1-isoquinolinyl)methyl]-1-(4-methoxybenzoyl)-, (3R,4S)-;
NAT14-502276

In Other Databases

ChemSpider 29857404
PubChem 51136687