(3S)-1-[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]-N-phenyl-nipecotamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-17(2)22(27-24(30)21-14-8-7-10-18(21)3)25(31)28-15-9-11-19(16-28)23(29)26-20-12-5-4-6-13-20/h4-8,10,12-14,17,19,22H,9,11,15-16H2,1-3H3,(H,26,29)(H,27,30)/t19-,22-/m0/s1