(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H27ClO5 MolecularWeight: 442.93188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)Cl

InChI

InChI=1S/C25H27ClO5/c1-15(2)20-13-21-18(12-25(28)31-23(21)11-16(20)3)14-30-24(27)6-5-9-29-19-7-8-22(26)17(4)10-19/h7-8,10-13,15H,5-6,9,14H2,1-4H3