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

Systemtic Name: cyclopentyl 4-(3-bromanyl-4-fluoranyl-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclopentyl 4-(3-bromo-4-fluoro-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-5-keto-7-(2-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C29H29BrFNO4 MolecularWeight: 554.447263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3OC)C4=CC(=C(C=C4)F)Br)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3OC)C4=CC(=C(C=C4)F)Br)C(=O)OC5CCCC5

InChI

InChI=1S/C29H29BrFNO4/c1-16-26(29(34)36-19-7-3-4-8-19)27(17-11-12-22(31)21(30)13-17)28-23(32-16)14-18(15-24(28)33)20-9-5-6-10-25(20)35-2/h5-6,9-14,18-19,27-28,32H,3-4,7-8,15H2,1-2H3