methyl 4-[2-[2-[1-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[1-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]ethylamino]benzoate Openeye Name: methyl 4-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]ethylamino]benzoate CAS Name: 4-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]ethylamino]benzoate Traditional Name: 4-[2-[2-[1-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]ethylamino]benzoic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(CCN1)(CCNC2=CC=C(C=C2)C(=O)OC)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C1CC(CCN1)(CCNC2=CC=C(C=C2)C(=O)OC)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N3O3/c1-17(19-5-3-18(16-25)4-6-19)22-15-24(29,12-14-27-22)11-13-26-21-9-7-20(8-10-21)23(28)30-2/h3-10,17,22,26-27,29H,11-15H2,1-2H3