2-[(1-cyano-4-methoxy-8-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-cyano-4-methoxy-8-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-cyano-4-methoxy-8-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4-methoxy-8-phenoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4-methoxy-8-phenoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-cyano-4-methoxy-8-phenoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC=C(C2=C(N=C1C(=O)NCC(=O)O)C#N)OC3=CC=CC=C3

Isomeric SMILES

COC1=C2C=CC=C(C2=C(N=C1C(=O)NCC(=O)O)C#N)OC3=CC=CC=C3

InChI

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