(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-tert-butylphenoxy)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C25H28O5 MolecularWeight: 408.48682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCOC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C25H28O5/c1-16-12-21-18(14-24(27)30-22(21)13-17(16)2)15-29-23(26)10-11-28-20-8-6-19(7-9-20)25(3,4)5/h6-9,12-14H,10-11,15H2,1-5H3