[2-[3,4-bis(phenylmethoxy)phenyl]-5-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl] (2S)-2-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[3,4-bis(phenylmethoxy)phenyl]-5-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl] (2S)-2-acetamido-3-phenyl-propanoate Openeye Name: [7-benzyloxy-2-(3,4-dibenzyloxyphenyl)-5-hydroxy-4-oxo-chromen-3-yl] (2S)-2-acetamido-3-phenyl-propanoate CAS Name: (2S)-2-acetamido-3-phenylpropanoic acid [2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-4-oxo-7-phenylmethoxy-1-benzopyran-3-yl] ester IUPAC Name: [2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-4-oxo-7-phenylmethoxychromen-3-yl] (2S)-2-acetamido-3-phenylpropanoate Traditional Name: (2S)-2-acetamido-3-phenyl-propionic acid [7-benzoxy-2-(3,4-dibenzoxyphenyl)-5-hydroxy-4-keto-chromen-3-yl] ester Formula: C47H39NO9 MolecularWeight: 761.81386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)OCC4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)OCC4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C47H39NO9/c1-31(49)48-38(24-32-14-6-2-7-15-32)47(52)57-46-44(51)43-39(50)26-37(53-28-33-16-8-3-9-17-33)27-42(43)56-45(46)36-22-23-40(54-29-34-18-10-4-11-19-34)41(25-36)55-30-35-20-12-5-13-21-35/h2-23,25-27,38,50H,24,28-30H2,1H3,(H,48,49)/t38-/m0/s1