3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]oxy]-3-pyridin-2-yl-propanoic acid

Systemtic Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]oxy]-3-pyridin-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-(2-pyridyl)propanoic acid CAS Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-(2-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-pyridin-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-keto-1,4-benzoxazin-7-yl]oxy]-3-(2-pyridyl)propionic acid Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)OC(CC(=O)O)C3=CC=CC=N3)CCCCNC4=NC=CN4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)OC(CC(=O)O)C3=CC=CC=N3)CCCCNC4=NC=CN4

InChI

InChI=1S/C23H25N5O5/c29-21-15-32-20-13-16(33-19(14-22(30)31)17-5-1-2-8-24-17)6-7-18(20)28(21)12-4-3-9-25-23-26-10-11-27-23/h1-2,5-8,10-11,13,19H,3-4,9,12,14-15H2,(H,30,31)(H2,25,26,27)