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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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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)OCCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C22H24ClNO5/c1-22(2,3)16-6-4-15(5-7-16)21(26)24-12-19(25)29-13-14-10-17(23)20-18(11-14)27-8-9-28-20/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,24,26)