1,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]pyrrole-2-carbonitrile; ethanedioic acid

Systemtic Name: 1,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]pyrrole-2-carbonitrile; ethanedioic acid Openeye Name: 1,5-dimethyl-4-[(p-tolylmethylamino)methyl]pyrrole-2-carbonitrile; oxalic acid CAS Name: 1,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]-2-pyrrolecarbonitrile; oxalic acid IUPAC Name: 1,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]pyrrole-2-carbonitrile; oxalic acid Traditional Name: 1,5-dimethyl-4-[[(4-methylbenzyl)amino]methyl]pyrrole-2-carbonitrile; oxalic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=C(N(C(=C2)C#N)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=C(N(C(=C2)C#N)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3.C2H2O4/c1-12-4-6-14(7-5-12)10-18-11-15-8-16(9-17)19(3)13(15)2;3-1(4)2(5)6/h4-8,18H,10-11H2,1-3H3;(H,3,4)(H,5,6)