[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate CAS Name: 4-(2,5-dimethylphenoxy)butanoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate Traditional Name: 4-(2,5-dimethylphenoxy)butyric acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC(C)C

InChI

InChI=1S/C26H29NO6/c1-16(2)15-27-25(29)21-13-19-9-10-20(14-23(19)33-26(21)30)32-24(28)6-5-11-31-22-12-17(3)7-8-18(22)4/h7-10,12-14,16H,5-6,11,15H2,1-4H3,(H,27,29)