1-[2-(methylamino)-3-naphthalen-2-yl-propanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(methylamino)-3-naphthalen-2-yl-propanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[2-(methylamino)-3-(2-naphthyl)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(methylamino)-3-(2-naphthalenyl)-1-oxopropyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[2-(methylamino)-3-(2-naphthyl)propanoyl]isonipecotic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC2=CC=CC=C2C=C1)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CNC(CC1=CC2=CC=CC=C2C=C1)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H30N2O3/c1-28-24(18-21-11-12-22-9-5-6-10-23(22)17-21)25(30)29-15-13-27(14-16-29,26(31)32)19-20-7-3-2-4-8-20/h2-12,17,24,28H,13-16,18-19H2,1H3,(H,31,32)