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

Systemtic Name: [3-(4-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [3-(4-bromophenoxy)-4-oxo-chromen-7-yl] (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [3-(4-bromophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-4-oxochromen-7-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyric acid [3-(4-bromophenoxy)-4-keto-chromen-7-yl] ester Formula: C25H26BrNO7 MolecularWeight: 532.38044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H26BrNO7/c1-14(2)21(27-24(30)34-25(3,4)5)23(29)33-17-10-11-18-19(12-17)31-13-20(22(18)28)32-16-8-6-15(26)7-9-16/h6-14,21H,1-5H3,(H,27,30)/t21-/m0/s1