methyl 4-[3-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]phenoxy]butanoate

Systemtic Name: methyl 4-[3-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]phenoxy]butanoate Openeye Name: methyl 4-[3-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]phenoxy]butanoate CAS Name: 4-[3-[[2-(2-anilino-1,3-benzoxazol-6-yl)-1-oxoethyl]amino]phenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]phenoxy]butanoate Traditional Name: 4-[3-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]phenoxy]butyric acid methyl ester Formula: C26H25N3O5 MolecularWeight: 459.4938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=CC=CC(=C1)NC(=O)CC2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCOC1=CC=CC(=C1)NC(=O)CC2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5/c1-32-25(31)11-6-14-33-21-10-5-9-20(17-21)27-24(30)16-18-12-13-22-23(15-18)34-26(29-22)28-19-7-3-2-4-8-19/h2-5,7-10,12-13,15,17H,6,11,14,16H2,1H3,(H,27,30)(H,28,29)