3-[3-methoxy-4-[(1-phenylpiperidin-2-yl)carbonylamino]phenyl]propanoic acid hydrochloride

Systemtic Name: 3-[3-methoxy-4-[(1-phenylpiperidin-2-yl)carbonylamino]phenyl]propanoic acid hydrochloride Openeye Name: 3-[3-methoxy-4-[(1-phenylpiperidine-2-carbonyl)amino]phenyl]propanoic acid hydrochloride CAS Name: 3-[3-methoxy-4-[[oxo-(1-phenyl-2-piperidinyl)methyl]amino]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[3-methoxy-4-[(1-phenylpiperidine-2-carbonyl)amino]phenyl]propanoic acid hydrochloride Traditional Name: 3-[3-methoxy-4-[(1-phenylpipecoloyl)amino]phenyl]propionic acid hydrochloride Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)O)NC(=O)C2CCCCN2C3=CC=CC=C3.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)O)NC(=O)C2CCCCN2C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H26N2O4.ClH/c1-28-20-15-16(11-13-21(25)26)10-12-18(20)23-22(27)19-9-5-6-14-24(19)17-7-3-2-4-8-17;/h2-4,7-8,10,12,15,19H,5-6,9,11,13-14H2,1H3,(H,23,27)(H,25,26);1H