4-[3-[3-(2-phenylazanyl-1,3-benzoxazol-6-yl)butanoylamino]phenoxy]butanoic acid

Systemtic Name: 4-[3-[3-(2-phenylazanyl-1,3-benzoxazol-6-yl)butanoylamino]phenoxy]butanoic acid Openeye Name: 4-[3-[3-(2-anilino-1,3-benzoxazol-6-yl)butanoylamino]phenoxy]butanoic acid CAS Name: 4-[3-[[3-(2-anilino-1,3-benzoxazol-6-yl)-1-oxobutyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[3-[3-(2-anilino-1,3-benzoxazol-6-yl)butanoylamino]phenoxy]butanoic acid Traditional Name: 4-[3-[3-(2-anilino-1,3-benzoxazol-6-yl)butanoylamino]phenoxy]butyric acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)OCCCC(=O)O)C2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)NC1=CC(=CC=C1)OCCCC(=O)O)C2=CC3=C(C=C2)N=C(O3)NC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5/c1-18(15-25(31)28-21-9-5-10-22(17-21)34-14-6-11-26(32)33)19-12-13-23-24(16-19)35-27(30-23)29-20-7-3-2-4-8-20/h2-5,7-10,12-13,16-18H,6,11,14-15H2,1H3,(H,28,31)(H,29,30)(H,32,33)