2-methylpropyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C29H32ClNO5 MolecularWeight: 510.02108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC(C)C)C)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC(C)C)C)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C29H32ClNO5/c1-5-35-25-14-19(8-11-23(25)32)27-26(29(34)36-15-16(2)3)17(4)31-22-12-20(13-24(33)28(22)27)18-6-9-21(30)10-7-18/h6-12,14,16,20,27-28,31-32H,5,13,15H2,1-4H3