ethanedioic acid; 4-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile

Systemtic Name: ethanedioic acid; 4-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile Openeye Name: 4-methyl-2-phenyl-2-[2-(1-piperidyl)ethyl]pentanenitrile; oxalic acid CAS Name: 4-methyl-2-phenyl-2-[2-(1-piperidinyl)ethyl]pentanenitrile; oxalic acid IUPAC Name: 4-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile; oxalic acid Traditional Name: 4-methyl-2-phenyl-2-(2-piperidinoethyl)valeronitrile; oxalic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCN1CCCCC1)(C#N)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(CCN1CCCCC1)(C#N)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2.C2H2O4/c1-17(2)15-19(16-20,18-9-5-3-6-10-18)11-14-21-12-7-4-8-13-21;3-1(4)2(5)6/h3,5-6,9-10,17H,4,7-8,11-15H2,1-2H3;(H,3,4)(H,5,6)