2-ethoxyethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C29H30BrNO7 MolecularWeight: 584.455

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C29H30BrNO7/c1-4-35-9-10-36-29(33)26-16(2)31-22-11-18(17-5-7-19(34-3)8-6-17)12-23(32)28(22)27(26)20-13-24-25(14-21(20)30)38-15-37-24/h5-8,13-14,18,27,31H,4,9-12,15H2,1-3H3