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

Systemtic Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid Openeye Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid CAS Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid IUPAC Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid Traditional Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-keto-1,4-benzoxazin-7-yl]amino]-2-phenyl-propionic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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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)CCNC4=NC=CN4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)NCC(C3=CC=CC=C3)C(=O)O)CCNC4=NC=CN4

InChI

InChI=1S/C22H23N5O4/c28-20-14-31-19-12-16(26-13-17(21(29)30)15-4-2-1-3-5-15)6-7-18(19)27(20)11-10-25-22-23-8-9-24-22/h1-9,12,17,26H,10-11,13-14H2,(H,29,30)(H2,23,24,25)