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

Systemtic Name: 3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propionic acid Formula: C30H28N4O5 MolecularWeight: 524.56712

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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)CCCNC5=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)CCCNC5=CC=CC=N5

InChI

InChI=1S/C30H28N4O5/c35-28-21-38-26-18-24(12-13-25(26)34(28)17-7-16-33-27-11-4-5-15-32-27)39-30(19-29(36)37,22-8-2-1-3-9-22)23-10-6-14-31-20-23/h1-6,8-15,18,20H,7,16-17,19,21H2,(H,32,33)(H,36,37)