(E)-3-[1-methyl-2-(4-piperidin-4-ylphenyl)benzimidazol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-methyl-2-(4-piperidin-4-ylphenyl)benzimidazol-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-methyl-2-[4-(4-piperidyl)phenyl]benzimidazol-5-yl]prop-2-enoic acid CAS Name: (E)-3-[1-methyl-2-[4-(4-piperidinyl)phenyl]-5-benzimidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-methyl-2-(4-piperidin-4-ylphenyl)benzimidazol-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-methyl-2-[4-(4-piperidyl)phenyl]benzimidazol-5-yl]acrylic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=CC(=O)O)N=C1C3=CC=C(C=C3)C4CCNCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C=C/C(=O)O)N=C1C3=CC=C(C=C3)C4CCNCC4

InChI

InChI=1S/C22H23N3O2/c1-25-20-8-2-15(3-9-21(26)27)14-19(20)24-22(25)18-6-4-16(5-7-18)17-10-12-23-13-11-17/h2-9,14,17,23H,10-13H2,1H3,(H,26,27)/b9-3+