4-[[2-butyl-5-[(carboxymethylamino)methyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[(carboxymethylamino)methyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[(carboxymethylamino)methyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[(carboxymethylamino)methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[(carboxymethylamino)methyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[(carboxymethylamino)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNCC(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNCC(=O)O

InChI

InChI=1S/C18H23N3O4/c1-2-3-4-16-20-10-15(9-19-11-17(22)23)21(16)12-13-5-7-14(8-6-13)18(24)25/h5-8,10,19H,2-4,9,11-12H2,1H3,(H,22,23)(H,24,25)