2-(3-cyano-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)ethylcarbamic acid

Systemtic Name: 2-(3-cyano-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)ethylcarbamic acid Openeye Name: 2-(3-cyano-6-methoxy-1-oxo-4-phenyl-2-isoquinolyl)ethylcarbamic acid CAS Name: 2-(3-cyano-6-methoxy-1-oxo-4-phenyl-2-isoquinolinyl)ethylcarbamic acid IUPAC Name: 2-(3-cyano-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl)ethylcarbamic acid Traditional Name: 2-(3-cyano-1-keto-6-methoxy-4-phenyl-2-isoquinolyl)ethylcarbamic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCNC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCNC(=O)O

InChI

InChI=1S/C20H17N3O4/c1-27-14-7-8-15-16(11-14)18(13-5-3-2-4-6-13)17(12-21)23(19(15)24)10-9-22-20(25)26/h2-8,11,22H,9-10H2,1H3,(H,25,26)