ethyl 2-[[2-(cyanomethyl)pyrrol-1-yl]methyl]benzoate

Systemtic Name: ethyl 2-[[2-(cyanomethyl)pyrrol-1-yl]methyl]benzoate Openeye Name: ethyl 2-[[2-(cyanomethyl)pyrrol-1-yl]methyl]benzoate CAS Name: 2-[[2-(cyanomethyl)-1-pyrrolyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(cyanomethyl)pyrrol-1-yl]methyl]benzoate Traditional Name: 2-[[2-(cyanomethyl)pyrrol-1-yl]methyl]benzoic acid ethyl ester Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CN2C=CC=C2CC#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CN2C=CC=C2CC#N

InChI

InChI=1S/C16H16N2O2/c1-2-20-16(19)15-8-4-3-6-13(15)12-18-11-5-7-14(18)9-10-17/h3-8,11H,2,9,12H2,1H3