methyl 4-[2,7,7-trimethyl-5-oxidanylidene-3-(phenylcarbamoyl)-1,4,6,8-tetrahydroquinolin-4-yl]benzoate

Systemtic Name: methyl 4-[2,7,7-trimethyl-5-oxidanylidene-3-(phenylcarbamoyl)-1,4,6,8-tetrahydroquinolin-4-yl]benzoate Openeye Name: methyl 4-[2,7,7-trimethyl-5-oxo-3-(phenylcarbamoyl)-1,4,6,8-tetrahydroquinolin-4-yl]benzoate CAS Name: 4-[3-[anilino(oxo)methyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,7,7-trimethyl-5-oxo-3-(phenylcarbamoyl)-1,4,6,8-tetrahydroquinolin-4-yl]benzoate Traditional Name: 4-[5-keto-2,7,7-trimethyl-3-(phenylcarbamoyl)-1,4,6,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-16-22(25(31)29-19-8-6-5-7-9-19)23(17-10-12-18(13-11-17)26(32)33-4)24-20(28-16)14-27(2,3)15-21(24)30/h5-13,23,28H,14-15H2,1-4H3,(H,29,31)