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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=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(27-23(29)19-10-7-9-18(3)15-19)25(31)28-14-8-11-20(16-28)24(30)26-21-12-5-4-6-13-21/h4-7,9-10,12-13,15,17,20,22H,8,11,14,16H2,1-3H3,(H,26,30)(H,27,29)/t20-,22-/m0/s1