1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-ethylphenyl)methyl]nipecotic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C22H25NO4/c1-2-15-5-7-16(8-6-15)21(23-11-3-4-18(13-23)22(24)25)17-9-10-19-20(12-17)27-14-26-19/h5-10,12,18,21H,2-4,11,13-14H2,1H3,(H,24,25)