(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methylbenzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methylbenzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H18O4/c1-3-14-7-8-17-16(11-19(21)24-18(17)10-14)12-23-20(22)15-6-4-5-13(2)9-15/h4-11H,3,12H2,1-2H3