bis(phenylmethyl) 2-[(1S,4R)-4-(phenylcarbonyloxy)cyclohept-2-en-1-yl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1S,4R)-4-(phenylcarbonyloxy)cyclohept-2-en-1-yl]propanedioate Openeye Name: dibenzyl 2-[(1S,4R)-4-benzoyloxycyclohept-2-en-1-yl]propanedioate CAS Name: 2-[(1S,4R)-4-benzoyloxy-1-cyclohept-2-enyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1S,4R)-4-benzoyloxycyclohept-2-en-1-yl]propanedioate Traditional Name: 2-[(1S,4R)-4-benzoyloxycyclohept-2-en-1-yl]malonic acid dibenzyl ester Formula: C31H30O6 MolecularWeight: 498.5663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=CC(C1)OC(=O)C2=CC=CC=C2)C(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C=C[C@@H](C1)OC(=O)C2=CC=CC=C2)C(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H30O6/c32-29(26-15-8-3-9-16-26)37-27-18-10-17-25(19-20-27)28(30(33)35-21-23-11-4-1-5-12-23)31(34)36-22-24-13-6-2-7-14-24/h1-9,11-16,19-20,25,27-28H,10,17-18,21-22H2/t25-,27+/m0/s1