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

Systemtic Name: ethanedioic acid; 4-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile; oxalic acid CAS Name: 4-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,5-dimethyl-2-pyrrolecarbonitrile; oxalic acid IUPAC Name: 4-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile; oxalic acid Traditional Name: 4-[[2-(4-methoxyphenyl)ethylamino]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile; oxalic acid Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)CNCCC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(N1C)C#N)CNCCC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N3O.C2H2O4/c1-13-15(10-16(11-18)20(13)2)12-19-9-8-14-4-6-17(21-3)7-5-14;3-1(4)2(5)6/h4-7,10,19H,8-9,12H2,1-3H3;(H,3,4)(H,5,6)