6-(cyclopentylmethoxy)-7-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6-(cyclopentylmethoxy)-7-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-(cyclopentylmethoxy)-7-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid CAS Name: 6-(cyclopentylmethoxy)-7-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-(cyclopentylmethoxy)-7-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-(cyclopentylmethoxy)-1-m-anisoyl-7-methoxy-isoquinoline-4-carboxylic acid Formula: C25H25NO6 MolecularWeight: 435.4691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCC4CCCC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCC4CCCC4)C(=O)O

InChI

InChI=1S/C25H25NO6/c1-30-17-9-5-8-16(10-17)24(27)23-19-12-21(31-2)22(32-14-15-6-3-4-7-15)11-18(19)20(13-26-23)25(28)29/h5,8-13,15H,3-4,6-7,14H2,1-2H3,(H,28,29)