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

Systemtic Name: 1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]isonipecotic 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=C2)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O

InChI

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