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

Systemtic Name: 2-methylpropyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C29H30BrNO6 MolecularWeight: 568.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Br)OCO5)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Br)OCO5)C(=O)OCC(C)C

InChI

InChI=1S/C29H30BrNO6/c1-15(2)13-35-29(33)26-16(3)31-22-9-18(17-5-7-19(34-4)8-6-17)10-23(32)28(22)27(26)20-11-24-25(12-21(20)30)37-14-36-24/h5-9,11-12,15,18,27-28,31H,10,13-14H2,1-4H3