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

Systemtic Name: methyl (E)-3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrrol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrrolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-[5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrrol-3-yl]acrylic acid methyl ester Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2/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/h5-7,9-16,19H,3-4,8,18H2,1-2H3/b15-12+