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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-m-phenetyl-methyl]isonipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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