4-[3-oxidanylidene-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]-3-pyridin-3-yl-butanoic acid

Systemtic Name: 4-[3-oxidanylidene-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]-3-pyridin-3-yl-butanoic acid Openeye Name: 4-[3-oxo-4-[4-(2-pyridylamino)butyl]-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butanoic acid CAS Name: 4-[3-oxo-4-[4-(2-pyridinylamino)butyl]-1,4-benzoxazin-7-yl]-3-(3-pyridinyl)butanoic acid IUPAC Name: 4-[3-oxo-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]-3-pyridin-3-ylbutanoic acid Traditional Name: 4-[3-keto-4-[4-(2-pyridylamino)butyl]-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butyric acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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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=CN=CC=C3)CCCCNC4=CC=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)CC(CC(=O)O)C3=CN=CC=C3)CCCCNC4=CC=CC=N4

InChI

InChI=1S/C26H28N4O4/c31-25-18-34-23-15-19(14-21(16-26(32)33)20-6-5-10-27-17-20)8-9-22(23)30(25)13-4-3-12-29-24-7-1-2-11-28-24/h1-2,5-11,15,17,21H,3-4,12-14,16,18H2,(H,28,29)(H,32,33)