(2R)-2-[(1-cyano-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2R)-2-[(1-cyano-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]propanoic acid Openeye Name: (2R)-2-[(1-cyano-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl)amino]propanoic acid CAS Name: (2R)-2-[[(1-cyano-4-hydroxy-7-phenoxy-3-isoquinolinyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[(1-cyano-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: (2R)-2-[(1-cyano-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl)amino]propionic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=NC(=C2C=C(C=CC2=C1O)OC3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](C(=O)O)NC(=O)C1=NC(=C2C=C(C=CC2=C1O)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H15N3O5/c1-11(20(26)27)22-19(25)17-18(24)14-8-7-13(9-15(14)16(10-21)23-17)28-12-5-3-2-4-6-12/h2-9,11,24H,1H3,(H,22,25)(H,26,27)/t11-/m1/s1