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

Systemtic Name: [3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [3-(4-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl] (2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3R)-3-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] (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-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:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=C(C=C3)Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C)OC3=CC=C(C=C3)Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H30BrNO7/c1-7-15(2)22(29-26(32)36-27(4,5)6)25(31)35-19-12-13-20-21(14-19)33-16(3)24(23(20)30)34-18-10-8-17(28)9-11-18/h8-15,22H,7H2,1-6H3,(H,29,32)/t15-,22+/m1/s1