[3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-(4-ethylphenoxy)butanoate

Systemtic Name: [3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-(4-ethylphenoxy)butanoate Openeye Name: [2-oxo-3-(sec-butylcarbamoyl)chromen-7-yl] 4-(4-ethylphenoxy)butanoate CAS Name: 4-(4-ethylphenoxy)butanoic acid [3-[(butan-2-ylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl] 4-(4-ethylphenoxy)butanoate Traditional Name: 4-(4-ethylphenoxy)butyric acid [2-keto-3-(sec-butylcarbamoyl)chromen-7-yl] ester Formula: C26H29NO6 MolecularWeight: 451.51156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC(C)CC

InChI

InChI=1S/C26H29NO6/c1-4-17(3)27-25(29)22-15-19-10-13-21(16-23(19)33-26(22)30)32-24(28)7-6-14-31-20-11-8-18(5-2)9-12-20/h8-13,15-17H,4-7,14H2,1-3H3,(H,27,29)