3-(2-carboxyethylsulfanyl)-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-[1-(8-phenyloctyl)-2-imidazolyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-[1-(8-phenyloctyl)imidazol-2-yl]propionic acid Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCN2C=CN=C2C(CC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCN2C=CN=C2C(CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C23H32N2O4S/c26-21(27)13-17-30-20(18-22(28)29)23-24-14-16-25(23)15-9-4-2-1-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-12,14,16,20H,1-4,6,9-10,13,15,17-18H2,(H,26,27)(H,28,29)