3-iodanyl-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-iodanyl-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid Openeye Name: 3-iodo-4-[(2-methyl-1-piperidyl)methyl]benzoic acid CAS Name: 3-iodo-4-[(2-methyl-1-piperidinyl)methyl]benzoic acid IUPAC Name: 3-iodo-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid Traditional Name: 3-iodo-4-[(2-methylpiperidino)methyl]benzoic acid Formula: C14H18INO2 MolecularWeight: 359.20269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

CC1CCCCN1CC2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C14H18INO2/c1-10-4-2-3-7-16(10)9-12-6-5-11(14(17)18)8-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)