tert-butyl 2-[3-[[3-(2-phenyl-1,3-dioxolan-2-yl)propylamino]methyl]phenoxy]butanoate

Systemtic Name: tert-butyl 2-[3-[[3-(2-phenyl-1,3-dioxolan-2-yl)propylamino]methyl]phenoxy]butanoate Openeye Name: tert-butyl 2-[3-[[3-(2-phenyl-1,3-dioxolan-2-yl)propylamino]methyl]phenoxy]butanoate CAS Name: 2-[3-[[3-(2-phenyl-1,3-dioxolan-2-yl)propylamino]methyl]phenoxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[3-(2-phenyl-1,3-dioxolan-2-yl)propylamino]methyl]phenoxy]butanoate Traditional Name: 2-[3-[[3-(2-phenyl-1,3-dioxolan-2-yl)propylamino]methyl]phenoxy]butyric acid tert-butyl ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)OC1=CC=CC(=C1)CNCCCC2(OCCO2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OC(C)(C)C)OC1=CC=CC(=C1)CNCCCC2(OCCO2)C3=CC=CC=C3

InChI

InChI=1S/C27H37NO5/c1-5-24(25(29)33-26(2,3)4)32-23-14-9-11-21(19-23)20-28-16-10-15-27(30-17-18-31-27)22-12-7-6-8-13-22/h6-9,11-14,19,24,28H,5,10,15-18,20H2,1-4H3