[(3S,4S)-1-(2-ethoxyethyl)-3-methyl-4-(2-phenylethynyl)piperidin-4-yl] propanoate

Systemtic Name: [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-4-(2-phenylethynyl)piperidin-4-yl] propanoate Openeye Name: [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-4-(2-phenylethynyl)-4-piperidyl] propanoate CAS Name: propanoic acid [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-4-(2-phenylethynyl)-4-piperidinyl] ester IUPAC Name: [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-4-(2-phenylethynyl)piperidin-4-yl] propanoate Traditional Name: propionic acid [(3S,4S)-1-(2-ethoxyethyl)-3-methyl-4-(2-phenylethynyl)-4-piperidyl] ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1C)CCOCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCC(=O)O[C@]1(CCN(C[C@@H]1C)CCOCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C21H29NO3/c1-4-20(23)25-21(12-11-19-9-7-6-8-10-19)13-14-22(17-18(21)3)15-16-24-5-2/h6-10,18H,4-5,13-17H2,1-3H3/t18-,21-/m0/s1