methyl 4-[[4-(2-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoate

Systemtic Name: methyl 4-[[4-(2-cyanophenyl)-2-(4-oxidanylpiperidin-4-yl)butyl]amino]benzoate Openeye Name: methyl 4-[[4-(2-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoate CAS Name: 4-[[4-(2-cyanophenyl)-2-(4-hydroxy-4-piperidinyl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-cyanophenyl)-2-(4-hydroxypiperidin-4-yl)butyl]amino]benzoate Traditional Name: 4-[[4-(2-cyanophenyl)-2-(4-hydroxy-4-piperidyl)butyl]amino]benzoic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC(CCC2=CC=CC=C2C#N)C3(CCNCC3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC(CCC2=CC=CC=C2C#N)C3(CCNCC3)O

InChI

InChI=1S/C24H29N3O3/c1-30-23(28)19-7-10-22(11-8-19)27-17-21(24(29)12-14-26-15-13-24)9-6-18-4-2-3-5-20(18)16-25/h2-5,7-8,10-11,21,26-27,29H,6,9,12-15,17H2,1H3