ethanedioic acid; 1-(4-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine Openeye Name: oxalic acid; 1-(p-tolyl)-N-(1H-pyrrol-2-ylmethyl)methanamine CAS Name: 1-(4-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine; oxalic acid IUPAC Name: 1-(4-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)methanamine; oxalic acid Traditional Name: (4-methylbenzyl)-(1H-pyrrol-2-ylmethyl)amine; oxalic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N2.C2H2O4/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;3-1(4)2(5)6/h2-8,14-15H,9-10H2,1H3;(H,3,4)(H,5,6)