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

Systemtic Name: ethyl 4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3)OC)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3)OC)Br)C

InChI

InChI=1S/C20H22BrNO4/c1-4-26-20(24)17-11(2)22-14-6-5-7-15(23)19(14)18(17)12-8-9-16(25-3)13(21)10-12/h6,8-10,18-19,22H,4-5,7H2,1-3H3