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

Systemtic Name: 2-[(1-cyano-4-oxidanyl-7-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-cyano-4-hydroxy-7-isopropoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-cyano-4-hydroxy-7-propan-2-yloxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-cyano-4-hydroxy-7-propan-2-yloxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-cyano-4-hydroxy-7-isopropoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(N=C(C(=C2C=C1)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

CC(C)OC1=CC2=C(N=C(C(=C2C=C1)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C16H15N3O5/c1-8(2)24-9-3-4-10-11(5-9)12(6-17)19-14(15(10)22)16(23)18-7-13(20)21/h3-5,8,22H,7H2,1-2H3,(H,18,23)(H,20,21)