3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid

Systemtic Name: 3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid Openeye Name: 3-[[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid CAS Name: 3-[[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid IUPAC Name: 3-[[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid Traditional Name: 3-[[3-keto-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]amino]-2-phenyl-propionic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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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)CCCNC4=CC=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)NCC(C3=CC=CC=C3)C(=O)O)CCCNC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O4/c30-24-17-33-22-15-19(28-16-20(25(31)32)18-7-2-1-3-8-18)10-11-21(22)29(24)14-6-13-27-23-9-4-5-12-26-23/h1-5,7-12,15,20,28H,6,13-14,16-17H2,(H,26,27)(H,31,32)