(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)NC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C22H22N2O6/c1-3-14-9-17-15(10-20(26)30-19(17)11-18(14)25)12-29-21(27)13(2)23-22(28)24-16-7-5-4-6-8-16/h4-11,13,25H,3,12H2,1-2H3,(H2,23,24,28)/t13-/m0/s1