ethyl 1-cyano-1-(phenylmethyl)isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-cyano-1-(phenylmethyl)isoquinoline-2-carboxylate Openeye Name: ethyl 1-benzyl-1-cyano-isoquinoline-2-carboxylate CAS Name: 1-cyano-1-(phenylmethyl)-2-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-1-cyanoisoquinoline-2-carboxylate Traditional Name: 1-benzyl-1-cyano-isoquinoline-2-carboxylic acid ethyl ester Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H18N2O2/c1-2-24-19(23)22-13-12-17-10-6-7-11-18(17)20(22,15-21)14-16-8-4-3-5-9-16/h3-13H,2,14H2,1H3