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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-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-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric 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:

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

Isomeric SMILES

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

InChI

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