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

Systemtic Name: 3-[[3-oxidanylidene-4-[2-(pyridin-2-ylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-4-[2-(2-pyridylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-(3-pyridyl)propanoic acid CAS Name: 3-[[3-oxo-4-[2-(2-pyridinylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-oxo-4-[2-(pyridin-2-ylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-4-[2-(2-pyridylamino)ethyl]-1,4-benzoxazin-7-yl]amino]-2-(3-pyridyl)propionic acid Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O4/c29-22-15-32-20-12-17(27-14-18(23(30)31)16-4-3-8-24-13-16)6-7-19(20)28(22)11-10-26-21-5-1-2-9-25-21/h1-9,12-13,18,27H,10-11,14-15H2,(H,25,26)(H,30,31)