(E)-3-[1-butyl-2-(phenylmethyl)benzimidazol-5-yl]-3-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-[1-butyl-2-(phenylmethyl)benzimidazol-5-yl]-3-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(2-benzyl-1-butyl-benzimidazol-5-yl)-3-phenyl-prop-2-enoic acid CAS Name: (E)-3-[1-butyl-2-(phenylmethyl)-5-benzimidazolyl]-3-phenyl-2-propenoic acid IUPAC Name: (E)-3-(2-benzyl-1-butylbenzimidazol-5-yl)-3-phenylprop-2-enoic acid Traditional Name: (E)-3-(2-benzyl-1-butyl-benzimidazol-5-yl)-3-phenyl-acrylic acid Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=CC(=O)O)C3=CC=CC=C3)N=C1CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)/C(=C/C(=O)O)/C3=CC=CC=C3)N=C1CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c1-2-3-16-29-25-15-14-22(23(19-27(30)31)21-12-8-5-9-13-21)18-24(25)28-26(29)17-20-10-6-4-7-11-20/h4-15,18-19H,2-3,16-17H2,1H3,(H,30,31)/b23-19+