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

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

CC(CCN1C(=O)COC2=C1C=CC(=C2)CC(CC(=O)O)C3=CC=CC=C3)NC4=NC=CN4

Isomeric SMILES

CC(CCN1C(=O)COC2=C1C=CC(=C2)CC(CC(=O)O)C3=CC=CC=C3)NC4=NC=CN4

InChI

InChI=1S/C25H28N4O4/c1-17(28-25-26-10-11-27-25)9-12-29-21-8-7-18(14-22(21)33-16-23(29)30)13-20(15-24(31)32)19-5-3-2-4-6-19/h2-8,10-11,14,17,20H,9,12-13,15-16H2,1H3,(H,31,32)(H2,26,27,28)