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

Systemtic Name: 4-azido-2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylamino]benzoic acid Openeye Name: 4-azido-2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylamino]benzoic acid CAS Name: 4-azido-2-[[2-butyl-3-[(4-carboxyphenyl)methyl]-4-imidazolyl]methylamino]benzoic acid IUPAC Name: 4-azido-2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylamino]benzoic acid Traditional Name: 4-azido-2-[[2-butyl-3-(4-carboxybenzyl)imidazol-4-yl]methylamino]benzoic acid Formula: C23H24N6O4 MolecularWeight: 448.47446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNC3=C(C=CC(=C3)N=[N+]=[N-])C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNC3=C(C=CC(=C3)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C23H24N6O4/c1-2-3-4-21-26-13-18(29(21)14-15-5-7-16(8-6-15)22(30)31)12-25-20-11-17(27-28-24)9-10-19(20)23(32)33/h5-11,13,25H,2-4,12,14H2,1H3,(H,30,31)(H,32,33)