4-[3-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]propoxy]benzoic acid

Systemtic Name: 4-[3-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]propoxy]benzoic acid Openeye Name: 4-[3-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]propoxy]benzoic acid CAS Name: 4-[3-[4-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidinyl]propoxy]benzoic acid IUPAC Name: 4-[3-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]propoxy]benzoic acid Traditional Name: 4-[3-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]piperidino]propoxy]benzoic acid Formula: C27H29ClN2O4 MolecularWeight: 480.98316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCOC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCOC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H29ClN2O4/c28-22-9-5-20(6-10-22)26(25-4-1-2-15-29-25)34-24-13-17-30(18-14-24)16-3-19-33-23-11-7-21(8-12-23)27(31)32/h1-2,4-12,15,24,26H,3,13-14,16-19H2,(H,31,32)