(4-ethyl-1-methyl-3-oxidanylidene-isochromen-6-yl)methyl 4-methylbenzoate

Systemtic Name: (4-ethyl-1-methyl-3-oxidanylidene-isochromen-6-yl)methyl 4-methylbenzoate Openeye Name: (4-ethyl-1-methyl-3-oxo-isochromen-6-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid (4-ethyl-1-methyl-3-oxo-2-benzopyran-6-yl)methyl ester IUPAC Name: (4-ethyl-1-methyl-3-oxoisochromen-6-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (4-ethyl-3-keto-1-methyl-isochromen-6-yl)methyl ester Formula: C21H20O4 MolecularWeight: 336.3811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C=CC2=C(OC1=O)C)COC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C2C=C(C=CC2=C(OC1=O)C)COC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20O4/c1-4-17-19-11-15(7-10-18(19)14(3)25-21(17)23)12-24-20(22)16-8-5-13(2)6-9-16/h5-11H,4,12H2,1-3H3