1-[(3-ethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-phenetyl(phenyl)methyl]nipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25NO3/c1-2-25-19-12-6-10-17(14-19)20(16-8-4-3-5-9-16)22-13-7-11-18(15-22)21(23)24/h3-6,8-10,12,14,18,20H,2,7,11,13,15H2,1H3,(H,23,24)