methyl 4-(3-cyano-1-ethyl-5-methyl-pyrrol-2-yl)benzoate

Systemtic Name: methyl 4-(3-cyano-1-ethyl-5-methyl-pyrrol-2-yl)benzoate Openeye Name: methyl 4-(3-cyano-1-ethyl-5-methyl-pyrrol-2-yl)benzoate CAS Name: 4-(3-cyano-1-ethyl-5-methyl-2-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-1-ethyl-5-methylpyrrol-2-yl)benzoate Traditional Name: 4-(3-cyano-1-ethyl-5-methyl-pyrrol-2-yl)benzoic acid methyl ester Formula: C16H16N2O2 MolecularWeight: 268.31044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C2=CC=C(C=C2)C(=O)OC)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C2=CC=C(C=C2)C(=O)OC)C#N)C

InChI

InChI=1S/C16H16N2O2/c1-4-18-11(2)9-14(10-17)15(18)12-5-7-13(8-6-12)16(19)20-3/h5-9H,4H2,1-3H3