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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5/c1-27-17(25)12-23-21(26)19-20(28-2)14-9-6-10-16(18(14)15(11-22)24-19)29-13-7-4-3-5-8-13/h3-10H,12H2,1-2H3,(H,23,26)