1-[4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]ethyl butanoate

Systemtic Name: 1-[4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]ethyl butanoate Openeye Name: 1-[4-(4-benzyl-4-hydroxy-1-piperidyl)pyrimidin-2-yl]ethyl butanoate CAS Name: butanoic acid 1-[4-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-(4-benzyl-4-hydroxypiperidin-1-yl)pyrimidin-2-yl]ethyl butanoate Traditional Name: butyric acid 1-[4-(4-benzyl-4-hydroxy-piperidino)pyrimidin-2-yl]ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CCC(CC2)(CC3=CC=CC=C3)O

Isomeric SMILES

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CCC(CC2)(CC3=CC=CC=C3)O

InChI

InChI=1S/C22H29N3O3/c1-3-7-20(26)28-17(2)21-23-13-10-19(24-21)25-14-11-22(27,12-15-25)16-18-8-5-4-6-9-18/h4-6,8-10,13,17,27H,3,7,11-12,14-16H2,1-2H3