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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (2R)-2-(4-tert-butylphenoxy)propanoate CAS Name: (2R)-2-(4-tert-butylphenoxy)propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate Traditional Name: (2R)-2-(4-tert-butylphenoxy)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25NO6/c1-14(29-17-8-5-15(6-9-17)22(2,3)4)21(25)26-12-20(24)23-16-7-10-18-19(11-16)28-13-27-18/h5-11,14H,12-13H2,1-4H3,(H,23,24)/t14-/m1/s1