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

Systemtic Name: phenethyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 2,7,7-trimethyl-5-oxo-4-(p-tolyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(p-tolyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C)(C)C

InChI

InChI=1S/C28H31NO3/c1-18-10-12-21(13-11-18)25-24(27(31)32-15-14-20-8-6-5-7-9-20)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-13,16,25-26,29H,14-15,17H2,1-4H3