2-[[1,3-bis(oxidanylidene)isoindol-2-yl]-isoquinolin-6-yl-amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]-isoquinolin-6-yl-amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)-(6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetic acid CAS Name: 2-[(1,3-dioxo-2-isoindolyl)-(6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)-isoquinolin-6-ylamino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-(3-ethoxy-4-isopropoxy-phenyl)-2-[6-isoquinolyl(phthalimido)amino]acetic acid Formula: C30H27N3O6 MolecularWeight: 525.55188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)O)N(C2=CC3=C(C=C2)C=NC=C3)N4C(=O)C5=CC=CC=C5C4=O)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)O)N(C2=CC3=C(C=C2)C=NC=C3)N4C(=O)C5=CC=CC=C5C4=O)OC(C)C

InChI

InChI=1S/C30H27N3O6/c1-4-38-26-16-20(10-12-25(26)39-18(2)3)27(30(36)37)32(22-11-9-21-17-31-14-13-19(21)15-22)33-28(34)23-7-5-6-8-24(23)29(33)35/h5-18,27H,4H2,1-3H3,(H,36,37)