(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: (6,7-dimethyl-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 (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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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=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C25H27NO5/c1-14(2)23(26-24(28)19-9-7-6-8-15(19)3)25(29)30-13-18-12-22(27)31-21-11-17(5)16(4)10-20(18)21/h6-12,14,23H,13H2,1-5H3,(H,26,28)/t23-/m0/s1