[3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: [3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [3-(4-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-4-methyl-pentanoate CAS Name: 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(4-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-2-methyl-4-oxochromen-7-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-methyl-valeric acid [3-(4-bromophenoxy)-4-keto-2-methyl-chromen-7-yl] ester Formula: C27H30BrNO7 MolecularWeight: 560.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C27H30BrNO7/c1-15(2)13-21(29-26(32)36-27(4,5)6)25(31)35-19-11-12-20-22(14-19)33-16(3)24(23(20)30)34-18-9-7-17(28)8-10-18/h7-12,14-15,21H,13H2,1-6H3,(H,29,32)