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

Systemtic Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid Openeye Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]-3-phenyl-butanoic acid CAS Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid IUPAC Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid Traditional Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-keto-1,4-benzoxazin-7-yl]-3-phenyl-butyric acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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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)CCCNC4=NC=CN4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)CC(CC(=O)O)C3=CC=CC=C3)CCCNC4=NC=CN4

InChI

InChI=1S/C24H26N4O4/c29-22-16-32-21-14-17(13-19(15-23(30)31)18-5-2-1-3-6-18)7-8-20(21)28(22)12-4-9-25-24-26-10-11-27-24/h1-3,5-8,10-11,14,19H,4,9,12-13,15-16H2,(H,30,31)(H2,25,26,27)