(phenylmethyl) (2S)-2-[(1R)-7-methoxy-1-oxidanyl-3,7-bis(oxidanylidene)heptyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(1R)-7-methoxy-1-oxidanyl-3,7-bis(oxidanylidene)heptyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(1R)-1-hydroxy-7-methoxy-3,7-dioxo-heptyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1R)-1-hydroxy-7-methoxy-3,7-dioxoheptyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1R)-1-hydroxy-7-methoxy-3,7-dioxoheptyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1R)-1-hydroxy-3,7-diketo-7-methoxy-heptyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)CC(C1CCCN1C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCCC(=O)C[C@H]([C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO6/c1-26-19(24)11-5-9-16(22)13-18(23)17-10-6-12-21(17)20(25)27-14-15-7-3-2-4-8-15/h2-4,7-8,17-18,23H,5-6,9-14H2,1H3/t17-,18+/m0/s1