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

Systemtic Name: 2-[2-[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]ethylsulfanyl]benzoic acid Openeye Name: 2-[2-[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]ethylsulfanyl]benzoic acid CAS Name: 2-[2-[2-butyl-3-[(4-carboxyphenyl)methyl]-4-imidazolyl]ethylthio]benzoic acid IUPAC Name: 2-[2-[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]ethylsulfanyl]benzoic acid Traditional Name: 2-[2-[2-butyl-3-(4-carboxybenzyl)imidazol-4-yl]ethylthio]benzoic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CCSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CCSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H26N2O4S/c1-2-3-8-22-25-15-19(13-14-31-21-7-5-4-6-20(21)24(29)30)26(22)16-17-9-11-18(12-10-17)23(27)28/h4-7,9-12,15H,2-3,8,13-14,16H2,1H3,(H,27,28)(H,29,30)