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

Systemtic Name: [2-(4-heptylphenyl)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoate Openeye Name: [2-(4-heptylphenyl)-2-oxo-ethyl] 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]butanoic acid [2-(4-heptylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-heptylphenyl)-2-oxoethyl] 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoate Traditional Name: 3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butyric acid [2-(4-heptylphenyl)-2-keto-ethyl] ester Formula: C28H43NO4 MolecularWeight: 457.64532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C

InChI

InChI=1S/C28H43NO4/c1-5-6-7-8-9-10-22-13-17-23(18-14-22)25(30)19-33-28(32)26(20(2)3)29-27(31)24-15-11-21(4)12-16-24/h13-14,17-18,20-21,24,26H,5-12,15-16,19H2,1-4H3,(H,29,31)