4-(phenylmethyl)-1-(3-piperidin-1-ylpropanoyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-1-(3-piperidin-1-ylpropanoyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[3-(1-piperidyl)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-3-(1-piperidinyl)propyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(3-piperidin-1-ylpropanoyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(3-piperidinopropanoyl)isonipecotic acid Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCC(=O)N2CCC(CC2)(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H30N2O3/c24-19(9-14-22-12-5-2-6-13-22)23-15-10-21(11-16-23,20(25)26)17-18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2,(H,25,26)