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

Systemtic Name: ethyl 1-[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-3-methyl-2-(m-toluoylamino)butanoyl]isonipecotic acid ethyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-5-27-21(26)16-9-11-23(12-10-16)20(25)18(14(2)3)22-19(24)17-8-6-7-15(4)13-17/h6-8,13-14,16,18H,5,9-12H2,1-4H3,(H,22,24)/t18-/m0/s1