ethyl (3S)-1-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[(2-chloro-6-methyl-phenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2-chloro-6-methylanilino)-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[(2-chloro-6-methylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[(2-chloro-6-methyl-phenyl)carbamoyl]nipecotic acid ethyl ester Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)NC2=C(C=CC=C2Cl)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)NC2=C(C=CC=C2Cl)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O3/c1-3-29-21(27)23(15-18-10-5-4-6-11-18)13-8-14-26(16-23)22(28)25-20-17(2)9-7-12-19(20)24/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,25,28)/t23-/m0/s1