2,4-dimethyl-5-(2-phenoxybutanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-dimethyl-5-(2-phenoxybutanoylamino)benzene-1,3-dicarboxylate Openeye Name: 2,4-dimethyl-5-(2-phenoxybutanoylamino)benzene-1,3-dicarboxylate CAS Name: 2,4-dimethyl-5-[(1-oxo-2-phenoxybutyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 2,4-dimethyl-5-(2-phenoxybutanoylamino)benzene-1,3-dicarboxylate Traditional Name: 2,4-dimethyl-5-(2-phenoxybutanoylamino)isophthalate Formula: C20H19NO6-2 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(C(=C1)C(=O)[O-])C)C(=O)[O-])C)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(C(=C1)C(=O)[O-])C)C(=O)[O-])C)OC2=CC=CC=C2

InChI

InChI=1S/C20H21NO6/c1-4-16(27-13-8-6-5-7-9-13)18(22)21-15-10-14(19(23)24)11(2)17(12(15)3)20(25)26/h5-10,16H,4H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/p-2