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

Systemtic Name: methyl 7-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 7-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 7-(1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br)C(=O)OC

InChI

InChI=1S/C25H22BrNO5/c1-13-22(25(29)30-2)23(14-3-6-17(26)7-4-14)24-18(27-13)9-16(10-19(24)28)15-5-8-20-21(11-15)32-12-31-20/h3-8,11,16,23,27H,9-10,12H2,1-2H3