methyl 4-[[1-[3-(4-cyanophenyl)propanoyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[[1-[3-(4-cyanophenyl)propanoyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[[1-[3-(4-cyanophenyl)propanoyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoate CAS Name: 4-[[1-[3-(4-cyanophenyl)-1-oxopropyl]-4-hydroxy-4-piperidinyl]methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[3-(4-cyanophenyl)propanoyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoate Traditional Name: 4-[[1-[3-(4-cyanophenyl)propanoyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoic acid methyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)C(=O)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1(CCN(CC1)C(=O)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H29N3O4/c1-27(22-10-8-21(9-11-22)24(30)32-2)18-25(31)13-15-28(16-14-25)23(29)12-7-19-3-5-20(17-26)6-4-19/h3-6,8-11,31H,7,12-16,18H2,1-2H3