methyl 7-[2-(3-methoxy-3-oxidanylidene-propyl)phenyl]cyclohepta-1,4-diene-1-carboxylate

Systemtic Name: methyl 7-[2-(3-methoxy-3-oxidanylidene-propyl)phenyl]cyclohepta-1,4-diene-1-carboxylate Openeye Name: methyl 7-[2-(3-methoxy-3-oxo-propyl)phenyl]cyclohepta-1,4-diene-1-carboxylate CAS Name: 7-[2-(3-methoxy-3-oxopropyl)phenyl]-1-cyclohepta-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 7-[2-(3-methoxy-3-oxopropyl)phenyl]cyclohepta-1,4-diene-1-carboxylate Traditional Name: 7-[2-(3-keto-3-methoxy-propyl)phenyl]cyclohepta-1,4-diene-1-carboxylic acid methyl ester Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1C2CC=CCC=C2C(=O)OC

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C2CC=CCC=C2C(=O)OC

InChI

InChI=1S/C19H22O4/c1-22-18(20)13-12-14-8-6-7-9-15(14)16-10-4-3-5-11-17(16)19(21)23-2/h3-4,6-9,11,16H,5,10,12-13H2,1-2H3