(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (5-hydroxy-4-oxo-2-phenyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (5-hydroxy-4-keto-2-phenyl-chromen-7-yl) ester Formula: C28H25NO7 MolecularWeight: 487.5006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25NO7/c1-17(2)26(29-28(33)34-16-18-9-5-3-6-10-18)27(32)35-20-13-21(30)25-22(31)15-23(36-24(25)14-20)19-11-7-4-8-12-19/h3-15,17,26,30H,16H2,1-2H3,(H,29,33)