ethyl 4-(3-bromanyl-4-methoxy-phenyl)-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-bromanyl-4-methoxy-phenyl)-2-ethyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(3-bromo-4-methoxy-phenyl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-methoxyphenyl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-2-ethyl-5-keto-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)Br)C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)Br)C(=O)OCC

InChI

InChI=1S/C21H24BrNO4/c1-4-14-20(21(25)27-5-2)18(12-9-10-17(26-3)13(22)11-12)19-15(23-14)7-6-8-16(19)24/h9-11,18,23H,4-8H2,1-3H3