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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C(C)NC(=O)NC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C21H20N2O6/c1-12-17(24)9-8-16-14(10-18(25)29-19(12)16)11-28-20(26)13(2)22-21(27)23-15-6-4-3-5-7-15/h3-10,13,24H,11H2,1-2H3,(H2,22,23,27)/t13-/m0/s1