4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[[4-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]piperazine-1-carboxylic acid CAS Name: 4-[[4-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-(4-piperidinobut-1-ynyl)benzyl]piperazine-1-carboxylic acid Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC=C(C=C2)CN3CCN(CC3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC=C(C=C2)CN3CCN(CC3)C(=O)O

InChI

InChI=1S/C21H29N3O2/c25-21(26)24-16-14-23(15-17-24)18-20-9-7-19(8-10-20)6-2-5-13-22-11-3-1-4-12-22/h7-10H,1,3-5,11-18H2,(H,25,26)