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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]nipecotic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC(=CC=C2)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H27NO5/c1-26-17-8-4-6-15(12-17)21(23-11-5-7-16(14-23)22(24)25)19-13-18(27-2)9-10-20(19)28-3/h4,6,8-10,12-13,16,21H,5,7,11,14H2,1-3H3,(H,24,25)