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

Systemtic Name: methyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO5/c1-4-33-22-13-16(7-10-20(22)29)24-23(26(31)32-3)14(2)28-19-11-17(12-21(30)25(19)24)15-5-8-18(27)9-6-15/h5-11,13,17,24-25,28-29H,4,12H2,1-3H3