1-[2-[tris(4-methoxyphenyl)methylsulfanyl]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[tris(4-methoxyphenyl)methylsulfanyl]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[tris(4-methoxyphenyl)methylsulfanyl]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[tris(4-methoxyphenyl)methylthio]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[tris(4-methoxyphenyl)methylsulfanyl]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[tris(4-methoxyphenyl)methylthio]ethyl]nipecotic acid Formula: C30H35NO5S MolecularWeight: 521.6676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCCN4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCCN4CCCC(C4)C(=O)O

InChI

InChI=1S/C30H35NO5S/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)