tert-butyl 2-[3-[[1,3-benzoxazol-2-yl-(4-oxidanylidene-4-phenyl-butyl)amino]methyl]phenoxy]butanoate

Systemtic Name: tert-butyl 2-[3-[[1,3-benzoxazol-2-yl-(4-oxidanylidene-4-phenyl-butyl)amino]methyl]phenoxy]butanoate Openeye Name: tert-butyl 2-[3-[[1,3-benzoxazol-2-yl-(4-oxo-4-phenyl-butyl)amino]methyl]phenoxy]butanoate CAS Name: 2-[3-[[1,3-benzoxazol-2-yl-(4-oxo-4-phenylbutyl)amino]methyl]phenoxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[1,3-benzoxazol-2-yl-(4-oxo-4-phenylbutyl)amino]methyl]phenoxy]butanoate Traditional Name: 2-[3-[[1,3-benzoxazol-2-yl-(4-keto-4-phenyl-butyl)amino]methyl]phenoxy]butyric acid tert-butyl ester Formula: C32H36N2O5 MolecularWeight: 528.63864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)OC1=CC=CC(=C1)CN(CCCC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)OC(C)(C)C)OC1=CC=CC(=C1)CN(CCCC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C32H36N2O5/c1-5-28(30(36)39-32(2,3)4)37-25-16-11-13-23(21-25)22-34(31-33-26-17-9-10-19-29(26)38-31)20-12-18-27(35)24-14-7-6-8-15-24/h6-11,13-17,19,21,28H,5,12,18,20,22H2,1-4H3