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

Systemtic Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]-3-pyridin-3-yl-butanoic acid Openeye Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butanoic acid CAS Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(3-pyridinyl)butanoic acid IUPAC Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-pyridin-3-ylbutanoic acid Traditional Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-keto-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butyric acid Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O4/c30-22-16-33-21-13-17(12-19(14-23(31)32)18-4-3-7-25-15-18)5-6-20(21)29(22)11-2-1-8-26-24-27-9-10-28-24/h3-7,9-10,13,15,19H,1-2,8,11-12,14,16H2,(H,31,32)(H2,26,27,28)