methyl 2-oxidanylidene-1-phenacyl-cycloheptane-1-carboxylate

Systemtic Name: methyl 2-oxidanylidene-1-phenacyl-cycloheptane-1-carboxylate Openeye Name: methyl 2-oxo-1-phenacyl-cycloheptanecarboxylate CAS Name: 2-oxo-1-phenacyl-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-1-phenacylcycloheptane-1-carboxylate Traditional Name: 2-keto-1-phenacyl-cycloheptanecarboxylic acid methyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCCCC1=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O4/c1-21-16(20)17(11-7-3-6-10-15(17)19)12-14(18)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3