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

Systemtic Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid Openeye Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid CAS Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid IUPAC Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid Traditional Name: 4-[4-[4-(1H-imidazol-2-ylamino)butyl]-3-keto-1,4-benzoxazin-7-yl]-3-phenyl-butyric acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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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=CC=CC=C3)CCCCNC4=NC=CN4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4/c30-23-17-33-22-15-18(14-20(16-24(31)32)19-6-2-1-3-7-19)8-9-21(22)29(23)13-5-4-10-26-25-27-11-12-28-25/h1-3,6-9,11-12,15,20H,4-5,10,13-14,16-17H2,(H,31,32)(H2,26,27,28)