1,3-benzodioxol-5-yl 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO5/c1-21(2,3)15-6-4-14(5-7-15)20(24)22-11-10-19(23)27-16-8-9-17-18(12-16)26-13-25-17/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)