(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C21H22ClNO5/c1-21(2,3)15-6-4-14(5-7-15)20(25)23-10-18(24)26-11-13-8-16(22)19-17(9-13)27-12-28-19/h4-9H,10-12H2,1-3H3,(H,23,25)