(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C24H25NO6/c1-13(2)21(25-23(28)17-8-6-5-7-14(17)3)24(29)30-12-16-11-20(27)31-22-15(4)19(26)10-9-18(16)22/h5-11,13,21,26H,12H2,1-4H3,(H,25,28)/t21-/m0/s1