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

Systemtic Name: propan-2-yl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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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)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-7-16-8-10-17(11-9-16)21-20(23(27)28-14(2)3)15(4)25-18-12-24(5,6)13-19(26)22(18)21/h8-12,14,21-22,25H,7,13H2,1-6H3