{(3R,4S)-1-(2,2-Dimethylpropanoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-1-(2,2-Dimethylpropanoyl)-3-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]piperidin-4-yl]acetic acid

ID: Reference9593

Other Names: 4-Piperidineacetic acid, 3-[(3,4-dihydro-6-methoxy-1-isoquinolinyl)methyl]-1-(2,2-dimethyl-1-oxopropyl)-, (3R,4S)-;
NAT14-502103

Formula: C23H32N2O4

Spectral Data

{(3R,4S)-1-(2,2-Dimethylpropanoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-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
No. of Spectral Trees 1
No. of Spectra 1220
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 8:42:20 AM
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Identificators

InChI InChI=1S/C23H32N2O4/c1-23(2,3)22(28)25-10-8-15(13-21(26)27)17(14-25)12-20-19-6-5-18(29-4)11-16(19)7-9-24-20/h5-6,11,15,17H,7-10,12-14H2,1-4H3,(H,26,27)/t15-,17-/m0/s1
InChI Key WJZUDGXSSDBVMO-RDJZCZTQSA-N
Canonical SMILES CC(C)(C)C(=O)N1CCC(C(C1)CC2=NCCC3=C2C=CC(=C3)OC)CC(=O)O
CAS
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Other Names 4-Piperidineacetic acid, 3-[(3,4-dihydro-6-methoxy-1-isoquinolinyl)methyl]-1-(2,2-dimethyl-1-oxopropyl)-, (3R,4S)-;
NAT14-502103

In Other Databases

ChemSpider 29857383
PubChem 51136663