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

Systemtic Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-keto-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propionic acid Formula: C28H27N5O5 MolecularWeight: 513.54448

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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=NC=CN5

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=NC=CN5

InChI

InChI=1S/C28H27N5O5/c34-25-19-37-24-16-22(9-10-23(24)33(25)15-5-12-30-27-31-13-14-32-27)38-28(17-26(35)36,20-6-2-1-3-7-20)21-8-4-11-29-18-21/h1-4,6-11,13-14,16,18H,5,12,15,17,19H2,(H,35,36)(H2,30,31,32)