1-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-m-phenetyl-methyl]nipecotic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3/c1-4-27-21-9-5-7-18(14-21)22(20-12-16(2)11-17(3)13-20)24-10-6-8-19(15-24)23(25)26/h5,7,9,11-14,19,22H,4,6,8,10,15H2,1-3H3,(H,25,26)