3-(4,8-dimethyl-2-oxidanylidene-7-phenylmethoxy-chromen-3-yl)propanoate

Systemtic Name: 3-(4,8-dimethyl-2-oxidanylidene-7-phenylmethoxy-chromen-3-yl)propanoate Openeye Name: 3-(7-benzyloxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(4,8-dimethyl-2-oxo-7-phenylmethoxy-1-benzopyran-3-yl)propanoate IUPAC Name: 3-(4,8-dimethyl-2-oxo-7-phenylmethoxychromen-3-yl)propanoate Traditional Name: 3-(7-benzoxy-2-keto-4,8-dimethyl-chromen-3-yl)propionate Formula: C21H19O5- MolecularWeight: 351.37256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC=C3)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC=C3)CCC(=O)[O-]

InChI

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