methyl 4-butyl-3-(2-cyanopyrrol-1-yl)benzoate

Systemtic Name: methyl 4-butyl-3-(2-cyanopyrrol-1-yl)benzoate Openeye Name: methyl 4-butyl-3-(2-cyanopyrrol-1-yl)benzoate CAS Name: 4-butyl-3-(2-cyano-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-butyl-3-(2-cyanopyrrol-1-yl)benzoate Traditional Name: 4-butyl-3-(2-cyanopyrrol-1-yl)benzoic acid methyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)OC)N2C=CC=C2C#N

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)OC)N2C=CC=C2C#N

InChI

InChI=1S/C17H18N2O2/c1-3-4-6-13-8-9-14(17(20)21-2)11-16(13)19-10-5-7-15(19)12-18/h5,7-11H,3-4,6H2,1-2H3