1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-p-phenetyl-methyl]isonipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-4-29-18-7-5-16(6-8-18)22(24-13-11-17(12-14-24)23(25)26)20-15-19(27-2)9-10-21(20)28-3/h5-10,15,17,22H,4,11-14H2,1-3H3,(H,25,26)