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

Systemtic Name: methyl 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrrol-3-yl]propanoate CAS Name: 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-3-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propylpyrrol-3-yl]propanoate Traditional Name: 3-[1-[4-(2-cyanophenyl)benzyl]-5-propyl-pyrrol-3-yl]propionic acid methyl ester Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)OC

Isomeric SMILES

CCCC1=CC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCC(=O)OC

InChI

InChI=1S/C25H26N2O2/c1-3-6-23-15-20(11-14-25(28)29-2)18-27(23)17-19-9-12-21(13-10-19)24-8-5-4-7-22(24)16-26/h4-5,7-10,12-13,15,18H,3,6,11,14,17H2,1-2H3