3-[[3-oxidanylidene-4-[2-(pyridin-2-ylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid

Systemtic Name: 3-[[3-oxidanylidene-4-[2-(pyridin-2-ylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid Openeye Name: 3-[[3-oxo-4-[2-(2-pyridylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid CAS Name: 3-[[3-oxo-4-[2-(2-pyridinylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid IUPAC Name: 3-[[3-oxo-4-[2-(pyridin-2-ylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid Traditional Name: 3-[[3-keto-4-[2-(2-pyridylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propionic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)NCC(C3=CC=CC=C3)C(=O)O)CCNC4=CC=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)NCC(C3=CC=CC=C3)C(=O)O)CCNC4=CC=CC=N4

InChI

InChI=1S/C24H24N4O4/c29-23-16-32-21-14-18(27-15-19(24(30)31)17-6-2-1-3-7-17)9-10-20(21)28(23)13-12-26-22-8-4-5-11-25-22/h1-11,14,19,27H,12-13,15-16H2,(H,25,26)(H,30,31)