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

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

Systemtic Name:1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(4-ethylphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[(4-ethylphenyl)-(3-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=C2)OC)N3CCCC(C3)C(=O)O


Isomeric SMILES

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


InChI

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


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