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

Systemtic Name: methyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)(C)C

InChI

InChI=1S/C22H27NO3/c1-6-14-7-9-15(10-8-14)19-18(21(25)26-5)13(2)23-16-11-22(3,4)12-17(24)20(16)19/h7-11,19-20,23H,6,12H2,1-5H3