ethanedioic acid; methyl 2-[(3,4-dichlorophenyl)methylamino]-3-methyl-pentanoate

Systemtic Name: ethanedioic acid; methyl 2-[(3,4-dichlorophenyl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylamino]-3-methyl-pentanoate; oxalic acid CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-3-methylpentanoic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylamino]-3-methylpentanoate; oxalic acid Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-3-methyl-valeric acid methyl ester; oxalic acid Formula: C16H21Cl2NO6 MolecularWeight: 394.24704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19Cl2NO2.C2H2O4/c1-4-9(2)13(14(18)19-3)17-8-10-5-6-11(15)12(16)7-10;3-1(4)2(5)6/h5-7,9,13,17H,4,8H2,1-3H3;(H,3,4)(H,5,6)