1-[1-(2,4,5-trimethoxyphenyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(2,4,5-trimethoxyphenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(2,4,5-trimethoxyphenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(2,4,5-trimethoxyphenyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,4,5-trimethoxyphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-(1-asarylpentyl)nipecotic acid Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1OC)OC)OC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1OC)OC)OC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C20H31NO5/c1-5-6-9-16(21-10-7-8-14(13-21)20(22)23)15-11-18(25-3)19(26-4)12-17(15)24-2/h11-12,14,16H,5-10,13H2,1-4H3,(H,22,23)