[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] (2R)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]butanoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] (2R)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butyric acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H28ClNO4 MolecularWeight: 393.90432

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO4/c1-13(2)19(23-20(25)16-6-4-14(3)5-7-16)21(26)27-12-18(24)15-8-10-17(22)11-9-15/h8-11,13-14,16,19H,4-7,12H2,1-3H3,(H,23,25)/t14?,16?,19-/m1/s1