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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]butanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2CCC(CC2)C

InChI

InChI=1S/C23H33NO4/c1-5-17-8-12-18(13-9-17)20(25)14-28-23(27)21(15(2)3)24-22(26)19-10-6-16(4)7-11-19/h8-9,12-13,15-16,19,21H,5-7,10-11,14H2,1-4H3,(H,24,26)/t16?,19?,21-/m0/s1