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

Systemtic Name: (2R)-2-[(1-cyano-4-methoxy-8-phenoxy-isoquinolin-3-yl)carbonylamino]propanoic acid Openeye Name: (2R)-2-[(1-cyano-4-methoxy-8-phenoxy-isoquinoline-3-carbonyl)amino]propanoic acid CAS Name: (2R)-2-[[(1-cyano-4-methoxy-8-phenoxy-3-isoquinolinyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[(1-cyano-4-methoxy-8-phenoxyisoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: (2R)-2-[(1-cyano-4-methoxy-8-phenoxy-isoquinoline-3-carbonyl)amino]propionic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=NC(=C2C(=C1OC)C=CC=C2OC3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](C(=O)O)NC(=O)C1=NC(=C2C(=C1OC)C=CC=C2OC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N3O5/c1-12(21(26)27)23-20(25)18-19(28-2)14-9-6-10-16(17(14)15(11-22)24-18)29-13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,23,25)(H,26,27)/t12-/m1/s1