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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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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)NC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-4-16-10-11-19-17(13-21(27)31-20(19)12-16)14-30-23(28)22(15(2)3)26-24(29)25-18-8-6-5-7-9-18/h5-13,15,22H,4,14H2,1-3H3,(H2,25,26,29)/t22-/m0/s1