phenyl 1-cyano-1-ethyl-isoquinoline-2-carboxylate

Systemtic Name: phenyl 1-cyano-1-ethyl-isoquinoline-2-carboxylate Openeye Name: phenyl 1-cyano-1-ethyl-isoquinoline-2-carboxylate CAS Name: 1-cyano-1-ethyl-2-isoquinolinecarboxylic acid phenyl ester IUPAC Name: phenyl 1-cyano-1-ethylisoquinoline-2-carboxylate Traditional Name: 1-cyano-1-ethyl-isoquinoline-2-carboxylic acid phenyl ester Formula: C19H16N2O2 MolecularWeight: 304.34254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1(C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H16N2O2/c1-2-19(14-20)17-11-7-6-8-15(17)12-13-21(19)18(22)23-16-9-4-3-5-10-16/h3-13H,2H2,1H3