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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25NO5/c1-22(2,3)16-7-4-15(5-8-16)6-11-21(25)26-13-20(24)23-17-9-10-18-19(12-17)28-14-27-18/h4-5,7-10,12H,6,11,13-14H2,1-3H3,(H,23,24)