2-[1-(3-butan-2-ylphenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3-butan-2-ylphenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[6,7-dimethoxy-1-(3-sec-butylbenzoyl)-4-isoquinolyl]acetic acid CAS Name: 2-[1-[(3-butan-2-ylphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(3-butan-2-ylbenzoyl)-6,7-dimethoxyisoquinolin-4-yl]acetic acid Traditional Name: 2-[6,7-dimethoxy-1-(3-sec-butylbenzoyl)-4-isoquinolyl]acetic acid Formula: C24H25NO5 MolecularWeight: 407.459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5/c1-5-14(2)15-7-6-8-16(9-15)24(28)23-19-12-21(30-4)20(29-3)11-18(19)17(13-25-23)10-22(26)27/h6-9,11-14H,5,10H2,1-4H3,(H,26,27)