6,7-dimethoxy-1-[3-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)oxyphenyl]carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[3-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)oxyphenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[[3-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]oxyphenyl]-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-(2-keto-1,1-dimethyl-2-pyrrolidino-ethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1)OC2=CC=CC(=C2)C(=O)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N1CCCC1)OC2=CC=CC(=C2)C(=O)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C(=O)O

InChI

InChI=1S/C27H28N2O7/c1-27(2,26(33)29-10-5-6-11-29)36-17-9-7-8-16(12-17)24(30)23-19-14-22(35-4)21(34-3)13-18(19)20(15-28-23)25(31)32/h7-9,12-15H,5-6,10-11H2,1-4H3,(H,31,32)