(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H24ClNO7 MolecularWeight: 449.88146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C(=C1)Cl)OCO2)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC2=C(C(=C1)Cl)OCO2)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H24ClNO7/c1-12(2)19(24-21(25)14-7-15(27-3)9-16(8-14)28-4)22(26)29-10-13-5-17(23)20-18(6-13)30-11-31-20/h5-9,12,19H,10-11H2,1-4H3,(H,24,25)