dimethyl 5-[2-(2,3-dimethylphenoxy)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2,3-dimethylphenoxy)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(2,3-dimethylphenoxy)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(2,3-dimethylphenoxy)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(2,3-dimethylphenoxy)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(2,3-dimethylphenoxy)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)OC2=CC=CC(=C2C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)OC2=CC=CC(=C2C)C

InChI

InChI=1S/C22H25NO6/c1-6-18(29-19-9-7-8-13(2)14(19)3)20(24)23-17-11-15(21(25)27-4)10-16(12-17)22(26)28-5/h7-12,18H,6H2,1-5H3,(H,23,24)