methyl (3S)-1-[(2S)-2-acetyloxy-2-phenyl-ethanoyl]-4-oxidanylidene-3-(3-oxidanylidenebutyl)piperidine-3-carboxylate

Systemtic Name: methyl (3S)-1-[(2S)-2-acetyloxy-2-phenyl-ethanoyl]-4-oxidanylidene-3-(3-oxidanylidenebutyl)piperidine-3-carboxylate Openeye Name: methyl (3S)-1-[(2S)-2-acetoxy-2-phenyl-acetyl]-4-oxo-3-(3-oxobutyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-2-acetyloxy-1-oxo-2-phenylethyl]-4-oxo-3-(3-oxobutyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-[(2S)-2-acetyloxy-2-phenylacetyl]-4-oxo-3-(3-oxobutyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-2-acetoxy-2-phenyl-acetyl]-4-keto-3-(3-ketobutyl)nipecotic acid methyl ester Formula: C21H25NO7 MolecularWeight: 403.4257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(CN(CCC1=O)C(=O)C(C2=CC=CC=C2)OC(=O)C)C(=O)OC

Isomeric SMILES

CC(=O)CC[C@@]1(CN(CCC1=O)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C)C(=O)OC

InChI

InChI=1S/C21H25NO7/c1-14(23)9-11-21(20(27)28-3)13-22(12-10-17(21)25)19(26)18(29-15(2)24)16-7-5-4-6-8-16/h4-8,18H,9-13H2,1-3H3/t18-,21-/m0/s1