1-[(2-ethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-ethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-ethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-ethoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-ethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[o-phenetyl(phenyl)methyl]nipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

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