(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-butoxybenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-butoxybenzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)C

InChI

InChI=1S/C22H22O5/c1-3-4-11-25-18-8-6-16(7-9-18)22(24)26-14-17-13-21(23)27-20-12-15(2)5-10-19(17)20/h5-10,12-13H,3-4,11,14H2,1-2H3