[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (2S)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]butanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31NO4/c1-14(2)20(23-21(25)18-11-7-16(4)8-12-18)22(26)27-13-19(24)17-9-5-15(3)6-10-17/h5-6,9-10,14,16,18,20H,7-8,11-13H2,1-4H3,(H,23,25)/t16?,18?,20-/m0/s1