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

Systemtic Name: 2-[[6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinolin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carbonyl]amino]acetic acid CAS Name: 2-[[[6,7-dimethoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carbonyl]amino]acetic acid Traditional Name: 2-[(1-m-anisoyl-6,7-dimethoxy-isoquinoline-4-carbonyl)amino]acetic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7/c1-29-13-6-4-5-12(7-13)21(27)20-15-9-18(31-3)17(30-2)8-14(15)16(10-23-20)22(28)24-11-19(25)26/h4-10H,11H2,1-3H3,(H,24,28)(H,25,26)