[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C23H31N3O4/c1-16(2)20(25-21(28)18-10-8-17(3)9-11-18)22(29)30-14-19(27)26-23(15-24)12-6-4-5-7-13-23/h8-11,16,20H,4-7,12-14H2,1-3H3,(H,25,28)(H,26,27)/t20-/m0/s1