ethanedioic acid; 3-[3-[[(4-methylphenyl)methylamino]methyl]indol-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[3-[[(4-methylphenyl)methylamino]methyl]indol-1-yl]propanenitrile Openeye Name: oxalic acid; 3-[3-[(p-tolylmethylamino)methyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[[(4-methylphenyl)methylamino]methyl]-1-indolyl]propanenitrile; oxalic acid IUPAC Name: 3-[3-[[(4-methylphenyl)methylamino]methyl]indol-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[3-[[(4-methylbenzyl)amino]methyl]indol-1-yl]propionitrile; oxalic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CN(C3=CC=CC=C32)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CN(C3=CC=CC=C32)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21N3.C2H2O4/c1-16-7-9-17(10-8-16)13-22-14-18-15-23(12-4-11-21)20-6-3-2-5-19(18)20;3-1(4)2(5)6/h2-3,5-10,15,22H,4,12-14H2,1H3;(H,3,4)(H,5,6)