methyl 4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OC)C)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO3/c1-4-17-10-12-19(13-11-17)24-23(26(29)30-3)16(2)27-21-14-20(15-22(28)25(21)24)18-8-6-5-7-9-18/h5-14,20,24-25,27H,4,15H2,1-3H3