2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylamino]benzoic acid

Systemtic Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylamino]benzoic acid Openeye Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylamino]benzoic acid CAS Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]-4-imidazolyl]methylamino]benzoic acid IUPAC Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylamino]benzoic acid Traditional Name: 2-[[2-butyl-3-(4-carboxybenzyl)imidazol-4-yl]methylamino]benzoic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-2-3-8-21-25-14-18(13-24-20-7-5-4-6-19(20)23(29)30)26(21)15-16-9-11-17(12-10-16)22(27)28/h4-7,9-12,14,24H,2-3,8,13,15H2,1H3,(H,27,28)(H,29,30)