methyl 1-[(4-chlorophenyl)methyl]-2-oxidanylidene-cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(4-chlorophenyl)methyl]-2-oxidanylidene-cycloheptane-1-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)methyl]-2-oxo-cycloheptanecarboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-2-oxo-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)methyl]-2-oxocycloheptane-1-carboxylate Traditional Name: 1-(4-chlorobenzyl)-2-keto-cycloheptanecarboxylic acid methyl ester Formula: C16H19ClO3 MolecularWeight: 294.77326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1(CCCCCC1=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H19ClO3/c1-20-15(19)16(10-4-2-3-5-14(16)18)11-12-6-8-13(17)9-7-12/h6-9H,2-5,10-11H2,1H3