(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-phenoxybutanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-phenoxybutanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H22O5/c1-15-11-19-17(13-22(24)27-20(19)12-16(15)2)14-26-21(23)9-6-10-25-18-7-4-3-5-8-18/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3