dimethyl 5-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(4-chloro-3-methylphenoxy)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C21H22ClNO6/c1-13-9-17(6-7-18(13)22)29-8-4-5-19(24)23-16-11-14(20(25)27-2)10-15(12-16)21(26)28-3/h6-7,9-12H,4-5,8H2,1-3H3,(H,23,24)