4-[[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid Openeye Name: 4-[[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid CAS Name: 4-[[(3-butyl-2,5-diphenyl-4-imidazolyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid Traditional Name: 4-[[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl-p-anisyl-amino]methyl]benzoic acid Formula: C36H37N3O3 MolecularWeight: 559.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC=C(C=C4)C(=O)O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCCCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC=C(C=C4)C(=O)O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C36H37N3O3/c1-3-4-23-39-33(34(29-11-7-5-8-12-29)37-35(39)30-13-9-6-10-14-30)26-38(25-28-17-21-32(42-2)22-18-28)24-27-15-19-31(20-16-27)36(40)41/h5-22H,3-4,23-26H2,1-2H3,(H,40,41)