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

Systemtic Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]-4-imidazolyl]methylthio]benzoic acid IUPAC Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[2-butyl-3-(4-carboxybenzyl)imidazol-4-yl]methylthio]benzoic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-2-3-8-21-24-13-18(15-30-20-7-5-4-6-19(20)23(28)29)25(21)14-16-9-11-17(12-10-16)22(26)27/h4-7,9-13H,2-3,8,14-15H2,1H3,(H,26,27)(H,28,29)