1-[1-(3,4-diethoxyphenyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3,4-diethoxyphenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3,4-diethoxyphenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3,4-diethoxyphenyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3,4-diethoxyphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3,4-diethoxyphenyl)pentyl]nipecotic acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OCC)OCC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OCC)OCC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C21H33NO4/c1-4-7-10-18(22-13-8-9-17(15-22)21(23)24)16-11-12-19(25-5-2)20(14-16)26-6-3/h11-12,14,17-18H,4-10,13,15H2,1-3H3,(H,23,24)