[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27NO6/c1-15(22(26)24-17-7-10-19-20(13-17)29-14-28-19)30-21(25)11-12-27-18-8-5-16(6-9-18)23(2,3)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,26)/t15-/m1/s1