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

Systemtic Name: ethyl 4-(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(2-chloro-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3Cl)O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3Cl)O)OC)C

InChI

InChI=1S/C20H22ClNO5/c1-4-27-20(25)17-10(2)22-13-6-5-7-14(23)19(13)18(17)11-8-16(26-3)15(24)9-12(11)21/h6,8-9,18-19,22,24H,4-5,7H2,1-3H3