methyl 2-[(1-oxidanylidene-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate

Systemtic Name: methyl 2-[(1-oxidanylidene-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate Openeye Name: methyl 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate CAS Name: 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate Traditional Name: 2-[(1-keto-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid methyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C4=C(CCC4)C=C3

InChI

InChI=1S/C21H20O3/c1-24-21(23)18-7-3-2-5-14(18)11-16-12-15-10-9-13-6-4-8-17(13)19(15)20(16)22/h2-3,5,7,9-10,16H,4,6,8,11-12H2,1H3