methyl (E)-3-[1,3-bis[(4-methylphenyl)methyl]benzimidazol-3-ium-2-yl]-2-methyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: methyl (E)-3-[1,3-bis[(4-methylphenyl)methyl]benzimidazol-3-ium-2-yl]-2-methyl-3-phenylazanyl-prop-2-enoate Openeye Name: methyl (E)-3-anilino-3-[1,3-bis(p-tolylmethyl)benzimidazol-3-ium-2-yl]-2-methyl-prop-2-enoate CAS Name: (E)-3-anilino-3-[1,3-bis[(4-methylphenyl)methyl]-2-benzimidazol-3-iumyl]-2-methyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-3-[1,3-bis[(4-methylphenyl)methyl]benzimidazol-3-ium-2-yl]-2-methylprop-2-enoate Traditional Name: (E)-3-anilino-3-[1,3-bis(4-methylbenzyl)benzimidazol-3-ium-2-yl]-2-methyl-acrylic acid methyl ester Formula: C34H34N3O2+ MolecularWeight: 516.65266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3[N+](=C2C(=C(C)C(=O)OC)NC4=CC=CC=C4)CC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3[N+](=C2/C(=C(/C)\C(=O)OC)/NC4=CC=CC=C4)CC5=CC=C(C=C5)C

InChI

InChI=1S/C34H33N3O2/c1-24-14-18-27(19-15-24)22-36-30-12-8-9-13-31(30)37(23-28-20-16-25(2)17-21-28)33(36)32(26(3)34(38)39-4)35-29-10-6-5-7-11-29/h5-21H,22-23H2,1-4H3/p+1