propan-2-yl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: propan-2-yl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isopropyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester Formula: C27H28ClNO5 MolecularWeight: 481.96792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C(=C4)Cl)O)OC)C(=O)OC(C)C

InChI

InChI=1S/C27H28ClNO5/c1-14(2)34-27(32)23-15(3)29-20-11-17(16-8-6-5-7-9-16)12-21(30)25(20)24(23)18-10-19(28)26(31)22(13-18)33-4/h5-11,13-14,17,24-25,29,31H,12H2,1-4H3