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

Systemtic Name: phenethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H26ClNO5/c1-15-22(26(31)33-12-11-16-7-4-3-5-8-16)23(24-19(28-15)9-6-10-20(24)29)17-13-18(27)25(30)21(14-17)32-2/h3-5,7-9,13-14,23-24,28,30H,6,10-12H2,1-2H3