ethanedioic acid; 3-[4-(4-methoxyphenyl)piperazin-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[4-(4-methoxyphenyl)piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]propanenitrile; oxalic acid CAS Name: 3-[4-(4-methoxyphenyl)-1-piperazinyl]propanenitrile; oxalic acid IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[4-(4-methoxyphenyl)piperazino]propionitrile; oxalic acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O.C2H2O4/c1-18-14-5-3-13(4-6-14)17-11-9-16(10-12-17)8-2-7-15;3-1(4)2(5)6/h3-6H,2,8-12H2,1H3;(H,3,4)(H,5,6)