(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methoxyphenyl)propanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methoxyphenyl)propanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=C(C=C3)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H22O6/c1-3-15-10-18-16(11-22(25)28-20(18)12-19(15)23)13-27-21(24)9-6-14-4-7-17(26-2)8-5-14/h4-5,7-8,10-12,23H,3,6,9,13H2,1-2H3