1-[[4-[(3-ethyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[[4-[(3-ethyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Openeye Name: 1-[[4-[(3-ethyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid CAS Name: 1-[[4-[[(3-ethyl-4-phenylphenyl)thio]methyl]phenyl]methyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[[4-[(3-ethyl-4-phenylphenyl)sulfanylmethyl]phenyl]methyl]azetidine-3-carboxylic acid Traditional Name: 1-[4-[[(3-ethyl-4-phenyl-phenyl)thio]methyl]benzyl]azetidine-3-carboxylic acid Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SCC2=CC=C(C=C2)CN3CC(C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)SCC2=CC=C(C=C2)CN3CC(C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO2S/c1-2-21-14-24(12-13-25(21)22-6-4-3-5-7-22)30-18-20-10-8-19(9-11-20)15-27-16-23(17-27)26(28)29/h3-14,23H,2,15-18H2,1H3,(H,28,29)