2-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyanilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]carbamoyl]benzoic acid Formula: C28H26N2O7 MolecularWeight: 502.51524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4C(=O)O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4C(=O)O)OC)OC)OC

InChI

InChI=1S/C28H26N2O7/c1-34-23-12-16-9-10-29-22(20(16)14-25(23)36-3)11-17-13-24(35-2)26(37-4)15-21(17)30-27(31)18-7-5-6-8-19(18)28(32)33/h5-10,12-15H,11H2,1-4H3,(H,30,31)(H,32,33)