1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-p-phenetyl-methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-4-29-18-9-7-16(8-10-18)22(24-13-5-6-17(15-24)23(25)26)20-14-19(27-2)11-12-21(20)28-3/h7-12,14,17,22H,4-6,13,15H2,1-3H3,(H,25,26)