2-[[1-cyano-5-(4-methylphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-cyano-5-(4-methylphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyano-4-hydroxy-5-(4-methylphenoxy)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyano-4-hydroxy-5-(4-methylphenoxy)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-cyano-4-hydroxy-5-(4-methylphenoxy)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-cyano-4-hydroxy-5-(4-methylphenoxy)isoquinoline-3-carbonyl]amino]acetic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC3=C(N=C(C(=C32)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC3=C(N=C(C(=C32)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C20H15N3O5/c1-11-5-7-12(8-6-11)28-15-4-2-3-13-14(9-21)23-18(19(26)17(13)15)20(27)22-10-16(24)25/h2-8,26H,10H2,1H3,(H,22,27)(H,24,25)