3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylic acid CAS Name: 3-[(1,4-dimethoxy-2-naphthalenyl)methoxy]-4-[4-[3-(phenylthio)propoxy]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-[4-[3-(phenylthio)propoxy]phenyl]piperidine-1-carboxylic acid Formula: C34H37NO6S MolecularWeight: 587.72568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=CC=CC=C21)OC)COC3CN(CCC3C4=CC=C(C=C4)OCCCSC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=C(C2=CC=CC=C21)OC)COC3CN(CCC3C4=CC=C(C=C4)OCCCSC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C34H37NO6S/c1-38-31-21-25(33(39-2)30-12-7-6-11-29(30)31)23-41-32-22-35(34(36)37)18-17-28(32)24-13-15-26(16-14-24)40-19-8-20-42-27-9-4-3-5-10-27/h3-7,9-16,21,28,32H,8,17-20,22-23H2,1-2H3,(H,36,37)