4-[5-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]-2-(3-pyrrolidin-1-ylpropoxy)phenoxy]butanoic acid

Systemtic Name: 4-[5-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)ethanoylamino]-2-(3-pyrrolidin-1-ylpropoxy)phenoxy]butanoic acid Openeye Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-2-(3-pyrrolidin-1-ylpropoxy)phenoxy]butanoic acid CAS Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)-1-oxoethyl]amino]-2-[3-(1-pyrrolidinyl)propoxy]phenoxy]butanoic acid IUPAC Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-2-(3-pyrrolidin-1-ylpropoxy)phenoxy]butanoic acid Traditional Name: 4-[5-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]-2-(3-pyrrolidinopropoxy)phenoxy]butyric acid Formula: C32H36N4O6 MolecularWeight: 572.65144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=C(C=C(C=C2)NC(=O)CC3=CC4=C(C=C3)N=C(O4)NC5=CC=CC=C5)OCCCC(=O)O

Isomeric SMILES

C1CCN(C1)CCCOC2=C(C=C(C=C2)NC(=O)CC3=CC4=C(C=C3)N=C(O4)NC5=CC=CC=C5)OCCCC(=O)O

InChI

InChI=1S/C32H36N4O6/c37-30(21-23-11-13-26-28(20-23)42-32(35-26)34-24-8-2-1-3-9-24)33-25-12-14-27(29(22-25)41-18-6-10-31(38)39)40-19-7-17-36-15-4-5-16-36/h1-3,8-9,11-14,20,22H,4-7,10,15-19,21H2,(H,33,37)(H,34,35)(H,38,39)