1-[2-(4-chloranylphenoxy)ethanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-chloranylphenoxy)ethanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-chlorophenoxy)-1-oxoethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[2-(4-chlorophenoxy)acetyl]isonipecotic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4/c22-17-6-8-18(9-7-17)27-15-19(24)23-12-10-21(11-13-23,20(25)26)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,25,26)