[1-(4-oxidanylidene-4-phenyl-butyl)piperidin-4-yl] 2-oxidanyl-2-phenyl-pent-3-ynoate

Systemtic Name: [1-(4-oxidanylidene-4-phenyl-butyl)piperidin-4-yl] 2-oxidanyl-2-phenyl-pent-3-ynoate Openeye Name: [1-(4-oxo-4-phenyl-butyl)-4-piperidyl] 2-hydroxy-2-phenyl-pent-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-pentynoic acid [1-(4-oxo-4-phenylbutyl)-4-piperidinyl] ester IUPAC Name: [1-(4-oxo-4-phenylbutyl)piperidin-4-yl] 2-hydroxy-2-phenylpent-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-pent-3-ynoic acid [1-(4-keto-4-phenyl-butyl)-4-piperidyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)CCCC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)CCCC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO4/c1-2-17-26(30,22-12-7-4-8-13-22)25(29)31-23-15-19-27(20-16-23)18-9-14-24(28)21-10-5-3-6-11-21/h3-8,10-13,23,30H,9,14-16,18-20H2,1H3