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

Systemtic Name: [2-[3,4-bis(phenylmethoxy)phenyl]-5-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl] (2S)-2-acetamido-4-methyl-pentanoate Openeye Name: [7-benzyloxy-2-(3,4-dibenzyloxyphenyl)-5-hydroxy-4-oxo-chromen-3-yl] (2S)-2-acetamido-4-methyl-pentanoate CAS Name: (2S)-2-acetamido-4-methylpentanoic 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-4-methylpentanoate Traditional Name: (2S)-2-acetamido-4-methyl-valeric acid [7-benzoxy-2-(3,4-dibenzoxyphenyl)-5-hydroxy-4-keto-chromen-3-yl] ester Formula: C44H41NO9 MolecularWeight: 727.79764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C

InChI

InChI=1S/C44H41NO9/c1-28(2)21-35(45-29(3)46)44(49)54-43-41(48)40-36(47)23-34(50-25-30-13-7-4-8-14-30)24-39(40)53-42(43)33-19-20-37(51-26-31-15-9-5-10-16-31)38(22-33)52-27-32-17-11-6-12-18-32/h4-20,22-24,28,35,47H,21,25-27H2,1-3H3,(H,45,46)/t35-/m0/s1