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

Systemtic Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid Openeye Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid CAS Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid IUPAC Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid Traditional Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-keto-1,4-benzoxazin-7-yl]amino]-2-phenyl-propionic 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)NCC(C3=CC=CC=C3)C(=O)O)CCCCNC4=NC=CN4

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O4/c30-22-16-33-21-14-18(28-15-19(23(31)32)17-6-2-1-3-7-17)8-9-20(21)29(22)13-5-4-10-25-24-26-11-12-27-24/h1-3,6-9,11-12,14,19,28H,4-5,10,13,15-16H2,(H,31,32)(H2,25,26,27)