(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)NC(=O)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N)C

InChI

InChI=1S/C22H22N2O5/c1-13-8-17-16(11-20(25)29-19(17)9-14(13)2)12-28-21(26)18(24-22(23)27)10-15-6-4-3-5-7-15/h3-9,11,18H,10,12H2,1-2H3,(H3,23,24,27)/t18-/m0/s1