2-[2-[2-[1-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoic acid

Systemtic Name: 2-[2-[2-[1-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoic acid Openeye Name: 2-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]ethylamino]benzoic acid CAS Name: 2-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]ethylamino]benzoic acid IUPAC Name: 2-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]ethylamino]benzoic acid Traditional Name: 2-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]ethylamino]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(CCN1)(CCNC2=CC=CC=C2C(=O)O)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1CC(CCN1)(CCNC2=CC=CC=C2C(=O)O)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O3/c1-16(18-8-6-17(15-24)7-9-18)21-14-23(29,11-13-26-21)10-12-25-20-5-3-2-4-19(20)22(27)28/h2-9,16,21,25-26,29H,10-14H2,1H3,(H,27,28)