ethanedioic acid; methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxy-benzoate

Systemtic Name: ethanedioic acid; methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxy-benzoate; oxalic acid CAS Name: 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxybenzoic acid methyl ester; oxalic acid IUPAC Name: methyl 5-[[(4-chlorophenyl)methylamino]methyl]-2-methoxybenzoate; oxalic acid Traditional Name: 5-[[(4-chlorobenzyl)amino]methyl]-2-methoxy-benzoic acid methyl ester; oxalic acid Formula: C19H20ClNO7 MolecularWeight: 409.8176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)Cl)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC=C(C=C2)Cl)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18ClNO3.C2H2O4/c1-21-16-8-5-13(9-15(16)17(20)22-2)11-19-10-12-3-6-14(18)7-4-12;3-1(4)2(5)6/h3-9,19H,10-11H2,1-2H3;(H,3,4)(H,5,6)