1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]nipecotic acid Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-5-29-21-9-8-18(14-22(21)28-4)23(20-12-16(2)11-17(3)13-20)25-10-6-7-19(15-25)24(26)27/h8-9,11-14,19,23H,5-7,10,15H2,1-4H3,(H,26,27)