methyl 3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrrol-3-yl]propanoate

Systemtic Name: methyl 3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrrol-3-yl]propanoate Openeye Name: methyl 3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrrol-3-yl]propanoate CAS Name: 3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrrol-3-yl]propanoate Traditional Name: 3-[5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrrol-3-yl]propionic acid methyl ester Formula: C26H28N2O2 MolecularWeight: 400.51272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)OC

Isomeric SMILES

CCCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)OC

InChI

InChI=1S/C26H28N2O2/c1-3-4-8-24-16-21(12-15-26(29)30-2)19-28(24)18-20-10-13-22(14-11-20)25-9-6-5-7-23(25)17-27/h5-7,9-11,13-14,16,19H,3-4,8,12,15,18H2,1-2H3