methyl 1-oxidanylidene-2-(phenylmethyl)-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-(phenylmethyl)-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate Openeye Name: methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate CAS Name: 1-oxo-2-(phenylmethyl)-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate Traditional Name: 2-benzyl-1-keto-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylic acid methyl ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCC2)C3=C1CC(C3=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(CCC2)C3=C1CC(C3=O)CC4=CC=CC=C4

InChI

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