(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C21H20N2O6/c1-27-15-7-8-16-14(10-19(24)29-18(16)11-15)12-28-20(25)17(23-21(22)26)9-13-5-3-2-4-6-13/h2-8,10-11,17H,9,12H2,1H3,(H3,22,23,26)/t17-/m0/s1