tert-butyl 1-acetyloxy-5-methyl-2-oxidanylidene-3-(phenylmethyl)cyclohept-4-ene-1-carboxylate

Systemtic Name: tert-butyl 1-acetyloxy-5-methyl-2-oxidanylidene-3-(phenylmethyl)cyclohept-4-ene-1-carboxylate Openeye Name: tert-butyl 1-acetoxy-3-benzyl-5-methyl-2-oxo-cyclohept-4-ene-1-carboxylate CAS Name: 1-acetyloxy-5-methyl-2-oxo-3-(phenylmethyl)-1-cyclohept-4-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-acetyloxy-3-benzyl-5-methyl-2-oxocyclohept-4-ene-1-carboxylate Traditional Name: 1-acetoxy-3-benzyl-2-keto-5-methyl-cyclohept-4-ene-1-carboxylic acid tert-butyl ester Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=O)C(CC1)(C(=O)OC(C)(C)C)OC(=O)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(C(=O)C(CC1)(C(=O)OC(C)(C)C)OC(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H28O5/c1-15-11-12-22(26-16(2)23,20(25)27-21(3,4)5)19(24)18(13-15)14-17-9-7-6-8-10-17/h6-10,13,18H,11-12,14H2,1-5H3