ethanedioic acid; 3-[3-[[2-(4-methoxyphenyl)ethylamino]methyl]indol-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[3-[[2-(4-methoxyphenyl)ethylamino]methyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[[2-(4-methoxyphenyl)ethylamino]methyl]indol-1-yl]propanenitrile; oxalic acid CAS Name: 3-[3-[[2-(4-methoxyphenyl)ethylamino]methyl]-1-indolyl]propanenitrile; oxalic acid IUPAC Name: 3-[3-[[2-(4-methoxyphenyl)ethylamino]methyl]indol-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[3-[[2-(4-methoxyphenyl)ethylamino]methyl]indol-1-yl]propionitrile; oxalic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNCC2=CN(C3=CC=CC=C32)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNCC2=CN(C3=CC=CC=C32)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O.C2H2O4/c1-25-19-9-7-17(8-10-19)11-13-23-15-18-16-24(14-4-12-22)21-6-3-2-5-20(18)21;3-1(4)2(5)6/h2-3,5-10,16,23H,4,11,13-15H2,1H3;(H,3,4)(H,5,6)