5-(2-dodecylphenyl)-5-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanyl-pentanoic acid

Systemtic Name: 5-(2-dodecylphenyl)-5-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanyl-pentanoic acid Openeye Name: 5-(2-dodecylphenyl)-5-(5-methoxycarbonyl-1-methyl-imidazol-2-yl)sulfanyl-pentanoic acid CAS Name: 5-(2-dodecylphenyl)-5-[(5-methoxycarbonyl-1-methyl-2-imidazolyl)thio]pentanoic acid IUPAC Name: 5-(2-dodecylphenyl)-5-(5-methoxycarbonyl-1-methylimidazol-2-yl)sulfanylpentanoic acid Traditional Name: 5-[(5-carbomethoxy-1-methyl-imidazol-2-yl)thio]-5-(2-laurylphenyl)valeric acid Formula: C29H44N2O4S MolecularWeight: 516.73566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(CCCC(=O)O)SC2=NC=C(N2C)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(CCCC(=O)O)SC2=NC=C(N2C)C(=O)OC

InChI

InChI=1S/C29H44N2O4S/c1-4-5-6-7-8-9-10-11-12-13-17-23-18-14-15-19-24(23)26(20-16-21-27(32)33)36-29-30-22-25(31(29)2)28(34)35-3/h14-15,18-19,22,26H,4-13,16-17,20-21H2,1-3H3,(H,32,33)