[3-(4-methoxyphenoxy)-2-methyl-5-oxidanyl-4-oxidanylidene-chromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: [3-(4-methoxyphenoxy)-2-methyl-5-oxidanyl-4-oxidanylidene-chromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-yl] (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid [5-hydroxy-4-keto-3-(4-methoxyphenoxy)-2-methyl-chromen-7-yl] ester Formula: C31H31NO9 MolecularWeight: 561.57914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=C(C=C2O1)OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)OC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(C=C(C=C2O1)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C31H31NO9/c1-18-28(39-21-13-11-20(37-5)12-14-21)27(34)26-24(33)16-22(17-25(26)38-18)40-29(35)23(15-19-9-7-6-8-10-19)32-30(36)41-31(2,3)4/h6-14,16-17,23,33H,15H2,1-5H3,(H,32,36)/t23-/m0/s1