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

Systemtic Name: cyclopentyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclopentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C29H28BrNO5 MolecularWeight: 550.44032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OC6CCCC6

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)OC6CCCC6

InChI

InChI=1S/C29H28BrNO5/c1-16-26(29(33)36-19-9-5-6-10-19)27(20-13-24-25(14-21(20)30)35-15-34-24)28-22(31-16)11-18(12-23(28)32)17-7-3-2-4-8-17/h2-4,7-8,11,13-14,18-19,27-28,31H,5-6,9-10,12,15H2,1H3