4-[3-[[3-(1,3-benzoxazol-6-yl)-3-phenylazanyl-propanoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[3-[[3-(1,3-benzoxazol-6-yl)-3-phenylazanyl-propanoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[3-[[3-anilino-3-(1,3-benzoxazol-6-yl)propanoyl]amino]phenoxy]butanoic acid CAS Name: 4-[3-[[3-anilino-3-(1,3-benzoxazol-6-yl)-1-oxopropyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[3-[[3-anilino-3-(1,3-benzoxazol-6-yl)propanoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[3-[[3-anilino-3-(1,3-benzoxazol-6-yl)propanoyl]amino]phenoxy]butyric acid Formula: C26H25N3O5 MolecularWeight: 459.4938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CC(=O)NC2=CC(=CC=C2)OCCCC(=O)O)C3=CC4=C(C=C3)N=CO4

Isomeric SMILES

C1=CC=C(C=C1)NC(CC(=O)NC2=CC(=CC=C2)OCCCC(=O)O)C3=CC4=C(C=C3)N=CO4

InChI

InChI=1S/C26H25N3O5/c30-25(29-20-8-4-9-21(15-20)33-13-5-10-26(31)32)16-23(28-19-6-2-1-3-7-19)18-11-12-22-24(14-18)34-17-27-22/h1-4,6-9,11-12,14-15,17,23,28H,5,10,13,16H2,(H,29,30)(H,31,32)