[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C23H25NO5/c1-16-4-3-13-24(14-16)22(26)15-28-23(27)20-7-5-18(6-8-20)19-9-11-21(12-10-19)29-17(2)25/h5-12,16H,3-4,13-15H2,1-2H3/t16-/m0/s1