methyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(4-acetoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-acetoxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-11-17(20(24)25-3)18(19-15(21-11)5-4-6-16(19)23)13-7-9-14(10-8-13)26-12(2)22/h5,7-10,18-19,21H,4,6H2,1-3H3