[(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] butanoate hydrochloride

Systemtic Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] butanoate hydrochloride Openeye Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] butanoate hydrochloride CAS Name: butanoic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidinyl]-1-phenylethyl] ester hydrochloride IUPAC Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] butanoate hydrochloride Traditional Name: butyric acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] ester hydrochloride Formula: C26H34ClNO3 MolecularWeight: 444.00606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CC1CCCC(N1C)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CCCC(=O)O[C@@H](C[C@@H]1CCC[C@@H](N1C)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C26H33NO3.ClH/c1-3-11-26(29)30-25(21-14-8-5-9-15-21)19-23-17-10-16-22(27(23)2)18-24(28)20-12-6-4-7-13-20;/h4-9,12-15,22-23,25H,3,10-11,16-19H2,1-2H3;1H/t22-,23+,25+;/m1./s1