1-[[4-[(3-carboxypiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[4-[(3-carboxypiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[4-[(3-carboxy-1-piperidyl)methyl]phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-[(3-carboxy-1-piperidinyl)methyl]phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-[(3-carboxypiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[(3-carboxypiperidino)methyl]benzyl]nipecotic acid Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)CN3CCCC(C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)CN3CCCC(C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H28N2O4/c23-19(24)17-3-1-9-21(13-17)11-15-5-7-16(8-6-15)12-22-10-2-4-18(14-22)20(25)26/h5-8,17-18H,1-4,9-14H2,(H,23,24)(H,25,26)