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

Systemtic Name: 3-[[3-oxidanylidene-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-4-[4-(2-pyridylamino)butyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-oxo-4-[4-(2-pyridinylamino)butyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-oxo-4-[4-(pyridin-2-ylamino)butyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-4-[4-(2-pyridylamino)butyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propionic acid Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)OC(CC(=O)O)(C3=CC=CC=C3)C4=CN=CC=C4)CCCCNC5=CC=CC=N5

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)OC(CC(=O)O)(C3=CC=CC=C3)C4=CN=CC=C4)CCCCNC5=CC=CC=N5

InChI

InChI=1S/C31H30N4O5/c36-29-22-39-27-19-25(13-14-26(27)35(29)18-7-6-17-34-28-12-4-5-16-33-28)40-31(20-30(37)38,23-9-2-1-3-10-23)24-11-8-15-32-21-24/h1-5,8-16,19,21H,6-7,17-18,20,22H2,(H,33,34)(H,37,38)