4-[[2-butyl-5-[[carboxymethyl-(phenylmethyl)amino]methyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[[carboxymethyl-(phenylmethyl)amino]methyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[[benzyl(carboxymethyl)amino]methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[[carboxymethyl-(phenylmethyl)amino]methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[[benzyl(carboxymethyl)amino]methyl]-2-butylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[[benzyl(carboxymethyl)amino]methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CN(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CN(CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C25H29N3O4/c1-2-3-9-23-26-14-22(28(23)16-20-10-12-21(13-11-20)25(31)32)17-27(18-24(29)30)15-19-7-5-4-6-8-19/h4-8,10-14H,2-3,9,15-18H2,1H3,(H,29,30)(H,31,32)