4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(2-naphthalenylmethoxy)-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C27H31NO7S MolecularWeight: 513.60254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCOC1=CC=C(C=C1)C2CCN(CC2OCC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCOC1=CC=C(C=C1)C2CCN(CC2OCC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C27H31NO7S/c1-36(31,32)35-16-4-15-33-24-11-9-22(10-12-24)25-13-14-28(27(29)30)18-26(25)34-19-20-7-8-21-5-2-3-6-23(21)17-20/h2-3,5-12,17,25-26H,4,13-16,18-19H2,1H3,(H,29,30)