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

Systemtic Name: tert-butyl 5-methyl-2-oxidanylidene-3-(phenylmethyl)cyclohept-4-ene-1-carboxylate Openeye Name: tert-butyl 3-benzyl-5-methyl-2-oxo-cyclohept-4-ene-1-carboxylate CAS Name: 5-methyl-2-oxo-3-(phenylmethyl)-1-cyclohept-4-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-5-methyl-2-oxocyclohept-4-ene-1-carboxylate Traditional Name: 3-benzyl-2-keto-5-methyl-cyclohept-4-ene-1-carboxylic acid tert-butyl ester Formula: C20H26O3 MolecularWeight: 314.41864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O3/c1-14-10-11-17(19(22)23-20(2,3)4)18(21)16(12-14)13-15-8-6-5-7-9-15/h5-9,12,16-17H,10-11,13H2,1-4H3