(4-methoxyphenyl) 1-cyano-1H-isoquinoline-2-carboxylate

Systemtic Name: (4-methoxyphenyl) 1-cyano-1H-isoquinoline-2-carboxylate Openeye Name: (4-methoxyphenyl) 1-cyano-1H-isoquinoline-2-carboxylate CAS Name: 1-cyano-1H-isoquinoline-2-carboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 1-cyano-1H-isoquinoline-2-carboxylate Traditional Name: 1-cyano-1H-isoquinoline-2-carboxylic acid (4-methoxyphenyl) ester Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N2C=CC3=CC=CC=C3C2C#N

InChI

InChI=1S/C18H14N2O3/c1-22-14-6-8-15(9-7-14)23-18(21)20-11-10-13-4-2-3-5-16(13)17(20)12-19/h2-11,17H,1H3