6-methoxy-1-(3-methoxyphenyl)carbonyl-7-(2-pyrrolidin-1-ylethoxy)isoquinoline-4-carboxylic acid

Systemtic Name: 6-methoxy-1-(3-methoxyphenyl)carbonyl-7-(2-pyrrolidin-1-ylethoxy)isoquinoline-4-carboxylic acid Openeye Name: 6-methoxy-1-(3-methoxybenzoyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinoline-4-carboxylic acid CAS Name: 6-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-7-[2-(1-pyrrolidinyl)ethoxy]-4-isoquinolinecarboxylic acid IUPAC Name: 6-methoxy-1-(3-methoxybenzoyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinoline-4-carboxylic acid Traditional Name: 1-m-anisoyl-6-methoxy-7-(2-pyrrolidinoethoxy)isoquinoline-4-carboxylic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCCN4CCCC4)OC)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCCN4CCCC4)OC)C(=O)O

InChI

InChI=1S/C25H26N2O6/c1-31-17-7-5-6-16(12-17)24(28)23-19-14-22(33-11-10-27-8-3-4-9-27)21(32-2)13-18(19)20(15-26-23)25(29)30/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,29,30)