ethyl 1-[(2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]isonipecotic acid ethyl ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H27ClN2O4/c1-4-27-20(26)15-9-11-23(12-10-15)19(25)17(13(2)3)22-18(24)14-5-7-16(21)8-6-14/h5-8,13,15,17H,4,9-12H2,1-3H3,(H,22,24)/t17-/m0/s1