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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-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-methyl-chromen-4-yl)methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO5/c1-15(2)23(25-21(26)12-17-7-5-4-6-8-17)24(28)29-14-18-13-22(27)30-20-11-16(3)9-10-19(18)20/h4-11,13,15,23H,12,14H2,1-3H3,(H,25,26)/t23-/m0/s1