ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; prop-2-enenitrile

Systemtic Name: ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; prop-2-enenitrile Openeye Name: ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; prop-2-enenitrile CAS Name: 3-(1-phenylethyl)-4-imidazolecarboxylic acid ethyl ester; 2-propenenitrile IUPAC Name: ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; prop-2-enenitrile Traditional Name: acrylonitrile; 3-(1-phenylethyl)imidazole-4-carboxylic acid ethyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2.C=CC#N

Isomeric SMILES

CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2.C=CC#N

InChI

InChI=1S/C14H16N2O2.C3H3N/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12;1-2-3-4/h4-11H,3H2,1-2H3;2H,1H2