(phenylmethyl) 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 2,7,7-trimethyl-5-oxo-4-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H29NO3/c1-17-10-12-20(13-11-17)24-23(26(30)31-16-19-8-6-5-7-9-19)18(2)28-21-14-27(3,4)15-22(29)25(21)24/h5-13,24,28H,14-16H2,1-4H3