[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl] ester Formula: C21H21BrN2O6 MolecularWeight: 477.30524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)CCCOC3=CC(=CC=C3)Br)C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)CCCOC3=CC(=CC=C3)Br)C(=O)N

InChI

InChI=1S/C21H21BrN2O6/c22-14-5-3-6-15(11-14)28-10-4-9-20(26)29-13-19(25)24-12-18(21(23)27)30-17-8-2-1-7-16(17)24/h1-3,5-8,11,18H,4,9-10,12-13H2,(H2,23,27)