bis(phenylmethyl) 2-[(1S,2R,3S)-2-(7-methoxy-7-oxidanylidene-heptyl)-3-oxidanyl-cyclopentyl]-2-methyl-propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1S,2R,3S)-2-(7-methoxy-7-oxidanylidene-heptyl)-3-oxidanyl-cyclopentyl]-2-methyl-propanedioate Openeye Name: dibenzyl 2-[(1S,2R,3S)-3-hydroxy-2-(7-methoxy-7-oxo-heptyl)cyclopentyl]-2-methyl-propanedioate CAS Name: 2-[(1S,2R,3S)-3-hydroxy-2-(7-methoxy-7-oxoheptyl)cyclopentyl]-2-methylpropanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1S,2R,3S)-3-hydroxy-2-(7-methoxy-7-oxoheptyl)cyclopentyl]-2-methylpropanedioate Traditional Name: 2-[(1S,2R,3S)-3-hydroxy-2-(7-keto-7-methoxy-heptyl)cyclopentyl]-2-methyl-malonic acid dibenzyl ester Formula: C31H40O7 MolecularWeight: 524.6451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(C1CCCCCCC(=O)OC)O)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC([C@H]1CC[C@@H]([C@@H]1CCCCCCC(=O)OC)O)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H40O7/c1-31(29(34)37-21-23-13-7-5-8-14-23,30(35)38-22-24-15-9-6-10-16-24)26-19-20-27(32)25(26)17-11-3-4-12-18-28(33)36-2/h5-10,13-16,25-27,32H,3-4,11-12,17-22H2,1-2H3/t25-,26+,27+/m1/s1