4-[4-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethoxy]phenyl]benzoic acid

Systemtic Name: 4-[4-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethoxy]phenyl]benzoic acid Openeye Name: 4-[4-[2-[4-(cyclohexylmethyl)-1-piperidyl]ethoxy]phenyl]benzoic acid CAS Name: 4-[4-[2-[4-(cyclohexylmethyl)-1-piperidinyl]ethoxy]phenyl]benzoic acid IUPAC Name: 4-[4-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethoxy]phenyl]benzoic acid Traditional Name: 4-[4-[2-[4-(cyclohexylmethyl)piperidino]ethoxy]phenyl]benzoic acid Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2CCN(CC2)CCOC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC2CCN(CC2)CCOC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H35NO3/c29-27(30)25-8-6-23(7-9-25)24-10-12-26(13-11-24)31-19-18-28-16-14-22(15-17-28)20-21-4-2-1-3-5-21/h6-13,21-22H,1-5,14-20H2,(H,29,30)