(4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(2-methylphenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(2-methylphenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(o-tolyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(o-tolyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid p-anisyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)(C)C

InChI

InChI=1S/C28H31NO4/c1-17-8-6-7-9-21(17)25-24(27(31)33-16-19-10-12-20(32-5)13-11-19)18(2)29-22-14-28(3,4)15-23(30)26(22)25/h6-14,25-26,29H,15-16H2,1-5H3