[2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-oxo-3-[oxo-(prop-2-enylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C24H23NO6 MolecularWeight: 421.44252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO6/c1-3-11-25-23(27)20-14-17-9-10-19(15-21(17)31-24(20)28)30-22(26)8-5-12-29-18-7-4-6-16(2)13-18/h3-4,6-7,9-10,13-15H,1,5,8,11-12H2,2H3,(H,25,27)