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

Systemtic Name: 3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-(3-pyridyl)propionic acid Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O4/c30-23-16-33-21-13-18(28-19(14-24(31)32)17-5-3-9-25-15-17)7-8-20(21)29(23)12-4-11-27-22-6-1-2-10-26-22/h1-3,5-10,13,15,19,28H,4,11-12,14,16H2,(H,26,27)(H,31,32)