2-[4-(4-methoxyphenyl)sulfanyl-1-phenylmethoxycarbonyl-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfanyl-1-phenylmethoxycarbonyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-benzyloxycarbonyl-4-(4-methoxyphenyl)sulfanyl-4-piperidyl]acetic acid CAS Name: 2-[4-[(4-methoxyphenyl)thio]-1-phenylmethoxycarbonyl-4-piperidinyl]acetic acid IUPAC Name: 2-[4-(4-methoxyphenyl)sulfanyl-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid Traditional Name: 2-[1-carbobenzoxy-4-[(4-methoxyphenyl)thio]-4-piperidyl]acetic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C22H25NO5S/c1-27-18-7-9-19(10-8-18)29-22(15-20(24)25)11-13-23(14-12-22)21(26)28-16-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,24,25)