2-[[4-[(1-phenylpiperidin-2-yl)carbonylamino]cyclohexyl]methyl]octanoic acid hydrochloride

Systemtic Name: 2-[[4-[(1-phenylpiperidin-2-yl)carbonylamino]cyclohexyl]methyl]octanoic acid hydrochloride Openeye Name: 2-[[4-[(1-phenylpiperidine-2-carbonyl)amino]cyclohexyl]methyl]octanoic acid hydrochloride CAS Name: 2-[[4-[[oxo-(1-phenyl-2-piperidinyl)methyl]amino]cyclohexyl]methyl]octanoic acid hydrochloride IUPAC Name: 2-[[4-[(1-phenylpiperidine-2-carbonyl)amino]cyclohexyl]methyl]octanoic acid hydrochloride Traditional Name: 2-[[4-[(1-phenylpipecoloyl)amino]cyclohexyl]methyl]caprylic acid hydrochloride Formula: C27H43ClN2O3 MolecularWeight: 479.09492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1CCC(CC1)NC(=O)C2CCCCN2C3=CC=CC=C3)C(=O)O.Cl

Isomeric SMILES

CCCCCCC(CC1CCC(CC1)NC(=O)C2CCCCN2C3=CC=CC=C3)C(=O)O.Cl

InChI

InChI=1S/C27H42N2O3.ClH/c1-2-3-4-6-11-22(27(31)32)20-21-15-17-23(18-16-21)28-26(30)25-14-9-10-19-29(25)24-12-7-5-8-13-24;/h5,7-8,12-13,21-23,25H,2-4,6,9-11,14-20H2,1H3,(H,28,30)(H,31,32);1H