hexanedioic acid; 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]prop-2-enenitrile

Systemtic Name: hexanedioic acid; 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]prop-2-enenitrile Openeye Name: adipic acid; 2-[[3-(hydroxymethyl)-1-piperidyl]methyl]prop-2-enenitrile CAS Name: hexanedioic acid; 2-[[3-(hydroxymethyl)-1-piperidinyl]methyl]-2-propenenitrile IUPAC Name: hexanedioic acid; 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]prop-2-enenitrile Traditional Name: adipic acid; 2-[(3-methylolpiperidino)methyl]acrylonitrile Formula: C16H26N2O5 MolecularWeight: 326.38804

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCCC(C1)CO)C#N.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C=C(CN1CCCC(C1)CO)C#N.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C10H16N2O.C6H10O4/c1-9(5-11)6-12-4-2-3-10(7-12)8-13;7-5(8)3-1-2-4-6(9)10/h10,13H,1-4,6-8H2;1-4H2,(H,7,8)(H,9,10)