[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C31H32FNO5 MolecularWeight: 517.587883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)C3(CCCC3)C4=CC(=CC=C4)F)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)C3(CCCC3)C4=CC(=CC=C4)F)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H32FNO5/c1-36-26-17-22-13-16-33(29(21-9-4-3-5-10-21)25(22)19-27(26)37-2)28(34)20-38-30(35)31(14-6-7-15-31)23-11-8-12-24(32)18-23/h3-5,8-12,17-19,29H,6-7,13-16,20H2,1-2H3