1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H27NO3/c1-3-16-10-12-17(13-11-16)21(19-8-4-5-9-20(19)26-2)23-14-6-7-18(15-23)22(24)25/h4-5,8-13,18,21H,3,6-7,14-15H2,1-2H3,(H,24,25)