(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl benzoate CAS Name: benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl benzoate Traditional Name: benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20O4 MolecularWeight: 336.3811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=CC=C3)C(C)C

InChI

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