1-pentanoyl-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-pentanoyl-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-pentanoyl-piperidine-4-carboxylic acid CAS Name: 1-(1-oxopentyl)-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-pentanoylpiperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-valeryl-isonipecotic acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCC(CC1)(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)N1CCC(CC1)(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO3/c1-2-3-9-16(20)19-12-10-18(11-13-19,17(21)22)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,21,22)