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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C25H27NO5/c1-14(2)22(26-24(28)18-9-6-15(3)7-10-18)25(29)30-13-19-12-21(27)31-23-17(5)16(4)8-11-20(19)23/h6-12,14,22H,13H2,1-5H3,(H,26,28)/t22-/m0/s1