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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3C

InChI

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