1-[1-(4-propan-2-ylphenyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(4-propan-2-ylphenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-isopropylphenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(4-propan-2-ylphenyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-propan-2-ylphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-(1-p-cumenylpentyl)nipecotic acid Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO2/c1-4-5-8-19(17-11-9-16(10-12-17)15(2)3)21-13-6-7-18(14-21)20(22)23/h9-12,15,18-19H,4-8,13-14H2,1-3H3,(H,22,23)