ethanedioic acid; methyl 2-[(4-chlorophenyl)methylamino]-3-methyl-butanoate

Systemtic Name: ethanedioic acid; methyl 2-[(4-chlorophenyl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-chlorophenyl)methylamino]-3-methyl-butanoate; oxalic acid CAS Name: 2-[(4-chlorophenyl)methylamino]-3-methylbutanoic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(4-chlorophenyl)methylamino]-3-methylbutanoate; oxalic acid Traditional Name: 2-[(4-chlorobenzyl)amino]-3-methyl-butyric acid methyl ester; oxalic acid Formula: C15H20ClNO6 MolecularWeight: 345.7754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18ClNO2.C2H2O4/c1-9(2)12(13(16)17-3)15-8-10-4-6-11(14)7-5-10;3-1(4)2(5)6/h4-7,9,12,15H,8H2,1-3H3;(H,3,4)(H,5,6)