(phenylmethyl) (3S)-3-[(5R)-5-methyl-3,7-bis(oxidanylidene)heptyl]-5-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-[(5R)-5-methyl-3,7-bis(oxidanylidene)heptyl]-5-oxidanylidene-piperidine-1-carboxylate Openeye Name: benzyl (3S)-3-[(5R)-5-methyl-3,7-dioxo-heptyl]-5-oxo-piperidine-1-carboxylate CAS Name: (3S)-3-[(5R)-5-methyl-3,7-dioxoheptyl]-5-oxo-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-[(5R)-5-methyl-3,7-dioxoheptyl]-5-oxopiperidine-1-carboxylate Traditional Name: (3S)-3-[(5R)-3,7-diketo-5-methyl-heptyl]-5-keto-piperidine-1-carboxylic acid benzyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)CC(=O)CCC1CC(=O)CN(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H](CC=O)CC(=O)CC[C@H]1CC(=O)CN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5/c1-16(9-10-23)11-19(24)8-7-18-12-20(25)14-22(13-18)21(26)27-15-17-5-3-2-4-6-17/h2-6,10,16,18H,7-9,11-15H2,1H3/t16-,18+/m1/s1