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

Systemtic Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-oxo-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-3-keto-1,4-benzoxazin-7-yl]oxy]-3-phenyl-3-(3-pyridyl)propionic acid Formula: C29H29N5O5 MolecularWeight: 527.57106

Click to see the large picture

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=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)CCCCNC5=NC=CN5

InChI

InChI=1S/C29H29N5O5/c35-26-20-38-25-17-23(10-11-24(25)34(26)16-5-4-13-31-28-32-14-15-33-28)39-29(18-27(36)37,21-7-2-1-3-8-21)22-9-6-12-30-19-22/h1-3,6-12,14-15,17,19H,4-5,13,16,18,20H2,(H,36,37)(H2,31,32,33)