methyl (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]propanoate CAS Name: (2S)-2-[[oxo-[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]propionic acid methyl ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C23H20N4O4/c1-30-22(28)19(12-15-6-3-2-4-7-15)27-23(29)25-17-9-10-20-18(13-17)26-21(31-20)16-8-5-11-24-14-16/h2-11,13-14,19H,12H2,1H3,(H2,25,27,29)/t19-/m0/s1