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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(CC3=CC=CC=C3)NC(=O)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N)Cl

InChI

InChI=1S/C21H19ClN2O5/c1-12-7-18-15(10-16(12)22)14(9-19(25)29-18)11-28-20(26)17(24-21(23)27)8-13-5-3-2-4-6-13/h2-7,9-10,17H,8,11H2,1H3,(H3,23,24,27)/t17-/m0/s1