(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)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-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]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=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO5/c1-15(2)23(26-21(27)12-18-8-6-5-7-9-18)25(29)30-14-19-13-22(28)31-24-17(4)16(3)10-11-20(19)24/h5-11,13,15,23H,12,14H2,1-4H3,(H,26,27)/t23-/m0/s1