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

Systemtic Name: methyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)(C)C

InChI

InChI=1S/C21H25NO3/c1-12-6-8-14(9-7-12)18-17(20(24)25-5)13(2)22-15-10-21(3,4)11-16(23)19(15)18/h6-10,18-19,22H,11H2,1-5H3