2-cyclohexyloxy-4-[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]benzoic acid

Systemtic Name: 2-cyclohexyloxy-4-[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]benzoic acid Openeye Name: 2-(cyclohexoxy)-4-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzoic acid CAS Name: 2-cyclohexyloxy-4-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]benzoic acid IUPAC Name: 2-cyclohexyloxy-4-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzoic acid Traditional Name: 2-(cyclohexoxy)-4-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzoic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CN=CC=C4)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)OC2=C(C=CC(=C2)C3=CC=C(C=C3)CCNC[C@@H](C4=CN=CC=C4)O)C(=O)O

InChI

InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/t26-/m0/s1