ethanedioic acid; pyridin-2-ylmethyl 4-[(4-chloranylphenoxy)methyl]benzoate

Systemtic Name: ethanedioic acid; pyridin-2-ylmethyl 4-[(4-chloranylphenoxy)methyl]benzoate Openeye Name: oxalic acid; 2-pyridylmethyl 4-[(4-chlorophenoxy)methyl]benzoate CAS Name: 4-[(4-chlorophenoxy)methyl]benzoic acid 2-pyridinylmethyl ester; oxalic acid IUPAC Name: oxalic acid; pyridin-2-ylmethyl 4-[(4-chlorophenoxy)methyl]benzoate Traditional Name: 4-[(4-chlorophenoxy)methyl]benzoic acid 2-pyridylmethyl ester; oxalic acid Formula: C22H18ClNO7 MolecularWeight: 443.83382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)COC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H16ClNO3.C2H2O4/c21-17-8-10-19(11-9-17)24-13-15-4-6-16(7-5-15)20(23)25-14-18-3-1-2-12-22-18;3-1(4)2(5)6/h1-12H,13-14H2;(H,3,4)(H,5,6)