4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(quinolin-7-ylmethoxy)piperidine-1-carboxylic acid

Systemtic Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(quinolin-7-ylmethoxy)piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(7-quinolylmethoxy)piperidine-1-carboxylic acid CAS Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(7-quinolinylmethoxy)-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(quinolin-7-ylmethoxy)piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-methylsulfonyloxypropoxy)phenyl]-3-(7-quinolylmethoxy)piperidine-1-carboxylic acid Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCOC1=CC=C(C=C1)C2CCN(CC2OCC3=CC4=C(C=CC=N4)C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCOC1=CC=C(C=C1)C2CCN(CC2OCC3=CC4=C(C=CC=N4)C=C3)C(=O)O

InChI

InChI=1S/C26H30N2O7S/c1-36(31,32)35-15-3-14-33-22-9-7-20(8-10-22)23-11-13-28(26(29)30)17-25(23)34-18-19-5-6-21-4-2-12-27-24(21)16-19/h2,4-10,12,16,23,25H,3,11,13-15,17-18H2,1H3,(H,29,30)