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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-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-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C21H22ClNO6/c1-2-3-8-26-16-6-4-15(5-7-16)21(25)23-11-19(24)27-12-14-9-17(22)20-18(10-14)28-13-29-20/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,23,25)