phenyl 1-cyano-1-methyl-isoquinoline-2-carboxylate

Systemtic Name: phenyl 1-cyano-1-methyl-isoquinoline-2-carboxylate Openeye Name: phenyl 1-cyano-1-methyl-isoquinoline-2-carboxylate CAS Name: 1-cyano-1-methyl-2-isoquinolinecarboxylic acid phenyl ester IUPAC Name: phenyl 1-cyano-1-methylisoquinoline-2-carboxylate Traditional Name: 1-cyano-1-methyl-isoquinoline-2-carboxylic acid phenyl ester Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3)C#N

Isomeric SMILES

CC1(C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H14N2O2/c1-18(13-19)16-10-6-5-7-14(16)11-12-20(18)17(21)22-15-8-3-2-4-9-15/h2-12H,1H3