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

Systemtic Name: [2-oxidanylidene-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [3-(allylcarbamoyl)-2-oxo-chromen-7-yl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)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-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [3-(allylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO6/c1-5-14-28-25(30)22-16-18-8-11-21(17-23(18)34-26(22)31)33-24(29)7-6-15-32-20-12-9-19(10-13-20)27(2,3)4/h5,8-13,16-17H,1,6-7,14-15H2,2-4H3,(H,28,30)