2-[[8-(4-methylphenoxy)-4-oxidanyl-1-pyridin-3-yl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[8-(4-methylphenoxy)-4-oxidanyl-1-pyridin-3-yl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-8-(4-methylphenoxy)-1-(3-pyridyl)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-8-(4-methylphenoxy)-1-(3-pyridinyl)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-8-(4-methylphenoxy)-1-pyridin-3-ylisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-8-(4-methylphenoxy)-1-(3-pyridyl)isoquinoline-3-carbonyl]amino]acetic acid Formula: C24H19N3O5 MolecularWeight: 429.42476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC3=C2C(=NC(=C3O)C(=O)NCC(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC3=C2C(=NC(=C3O)C(=O)NCC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C24H19N3O5/c1-14-7-9-16(10-8-14)32-18-6-2-5-17-20(18)21(15-4-3-11-25-12-15)27-22(23(17)30)24(31)26-13-19(28)29/h2-12,30H,13H2,1H3,(H,26,31)(H,28,29)