[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C27H32N2O4/c1-17(2)24(28-25(31)19-13-11-18(3)12-14-19)26(32)33-16-20(30)15-23-27(4,5)21-9-7-8-10-22(21)29(23)6/h7-15,17,24H,16H2,1-6H3,(H,28,31)