ethanedioic acid; 4-methyl-N-(pyrrolidin-2-ylmethyl)aniline

Systemtic Name: ethanedioic acid; 4-methyl-N-(pyrrolidin-2-ylmethyl)aniline Openeye Name: 4-methyl-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid CAS Name: 4-methyl-N-(2-pyrrolidinylmethyl)aniline; oxalic acid IUPAC Name: 4-methyl-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid Traditional Name: oxalic acid; p-tolyl(pyrrolidin-2-ylmethyl)amine Formula: C16H22N2O8 MolecularWeight: 370.35448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2CCCN2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC2CCCN2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2.2C2H2O4/c1-10-4-6-11(7-5-10)14-9-12-3-2-8-13-12;2*3-1(4)2(5)6/h4-7,12-14H,2-3,8-9H2,1H3;2*(H,3,4)(H,5,6)