[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=CC=CC=C3OC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=CC=CC=C3OC2)C

InChI

InChI=1S/C21H20O4/c1-13-8-9-17(10-14(13)2)20(22)15(3)25-21(23)18-11-16-6-4-5-7-19(16)24-12-18/h4-11,15H,12H2,1-3H3