[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C(C)(C)C

InChI

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