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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=C(C=C(C=C2)C(=O)O)I

Isomeric SMILES

CC1CCCN(C1)CC2=C(C=C(C=C2)C(=O)O)I

InChI

InChI=1S/C14H18INO2/c1-10-3-2-6-16(8-10)9-12-5-4-11(14(17)18)7-13(12)15/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,18)