6,7-dimethoxy-2-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]carbonyl-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-2-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]carbonyl-1H-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-2-[3-(2-oxo-2-pyrrolidin-1-yl-ethoxy)benzoyl]-1H-isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-2-[oxo-[3-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 6,7-dimethoxy-2-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoyl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[3-(2-keto-2-pyrrolidino-ethoxy)benzoyl]-6,7-dimethoxy-1H-isoquinoline-4-carboxylic acid Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C=C2C(=O)O)C(=O)C3=CC(=CC=C3)OCC(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C=C2C(=O)O)C(=O)C3=CC(=CC=C3)OCC(=O)N4CCCC4)OC

InChI

InChI=1S/C25H26N2O7/c1-32-21-11-17-13-27(14-20(25(30)31)19(17)12-22(21)33-2)24(29)16-6-5-7-18(10-16)34-15-23(28)26-8-3-4-9-26/h5-7,10-12,14H,3-4,8-9,13,15H2,1-2H3,(H,30,31)