[4-phenyl-1-(5-phenylpenta-2,4-diynyl)piperidin-4-yl] propanoate hydrochloride

Systemtic Name: [4-phenyl-1-(5-phenylpenta-2,4-diynyl)piperidin-4-yl] propanoate hydrochloride Openeye Name: [4-phenyl-1-(5-phenylpenta-2,4-diynyl)-4-piperidyl] propanoate hydrochloride CAS Name: propanoic acid [4-phenyl-1-(5-phenylpenta-2,4-diynyl)-4-piperidinyl] ester hydrochloride IUPAC Name: [4-phenyl-1-(5-phenylpenta-2,4-diynyl)piperidin-4-yl] propanoate hydrochloride Traditional Name: propionic acid [4-phenyl-1-(5-phenylpenta-2,4-diynyl)-4-piperidyl] ester hydrochloride Formula: C25H26ClNO2 MolecularWeight: 407.93244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CC#CC#CC2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CC#CC#CC2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C25H25NO2.ClH/c1-2-24(27)28-25(23-15-9-4-10-16-23)17-20-26(21-18-25)19-11-5-8-14-22-12-6-3-7-13-22;/h3-4,6-7,9-10,12-13,15-16H,2,17-21H2,1H3;1H