2-[(1-cyano-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-cyano-4-oxidanyl-7-phenylmethoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-benzyloxy-1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4-hydroxy-7-phenylmethoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4-hydroxy-7-phenylmethoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(7-benzoxy-1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(N=C(C(=C3C=C2)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(N=C(C(=C3C=C2)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C20H15N3O5/c21-9-16-15-8-13(28-11-12-4-2-1-3-5-12)6-7-14(15)19(26)18(23-16)20(27)22-10-17(24)25/h1-8,26H,10-11H2,(H,22,27)(H,24,25)