[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-heptyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-heptyl-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 4-methoxybenzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl]-3-heptyl-7-methyl-6,8-dioxo-7-isoquinolyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[(2-chloro-6-fluorophenyl)methyl]-3-heptyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl]-3-heptyl-7-methyl-6,8-dioxoisoquinolin-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(2-chloro-6-fluoro-benzyl)-3-heptyl-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C32H33ClFNO5 MolecularWeight: 566.059523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=C(C=CC=C3Cl)F)(C)OC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCC1=CC2=CC(=O)C(C(=O)C2=CN1CC3=C(C=CC=C3Cl)F)(C)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C32H33ClFNO5/c1-4-5-6-7-8-10-23-17-22-18-29(36)32(2,40-31(38)21-13-15-24(39-3)16-14-21)30(37)25(22)19-35(23)20-26-27(33)11-9-12-28(26)34/h9,11-19H,4-8,10,20H2,1-3H3