1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-isopropylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(p-cumenyl)methyl]nipecotic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-15(2)16-5-7-17(8-6-16)22(24-11-3-4-19(13-24)23(25)26)18-9-10-20-21(12-18)28-14-27-20/h5-10,12,15,19,22H,3-4,11,13-14H2,1-2H3,(H,25,26)