(4-methyl-2-oxidanylidene-chromen-7-yl) 4-(3-methylphenoxy)butanoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-(3-methylphenoxy)butanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C21H20O5/c1-14-5-3-6-16(11-14)24-10-4-7-20(22)25-17-8-9-18-15(2)12-21(23)26-19(18)13-17/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3