4-[(4-iodophenyl)-(3-methylbut-2-enyl)amino]piperidine-1-carboxylic acid

Systemtic Name: 4-[(4-iodophenyl)-(3-methylbut-2-enyl)amino]piperidine-1-carboxylic acid Openeye Name: 4-[4-iodo-N-(3-methylbut-2-enyl)anilino]piperidine-1-carboxylic acid CAS Name: 4-[4-iodo-N-(3-methylbut-2-enyl)anilino]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-iodo-N-(3-methylbut-2-enyl)anilino]piperidine-1-carboxylic acid Traditional Name: 4-[4-iodo-N-(3-methylbut-2-enyl)anilino]piperidine-1-carboxylic acid Formula: C17H23IN2O2 MolecularWeight: 414.28119

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN(C1CCN(CC1)C(=O)O)C2=CC=C(C=C2)I)C

Isomeric SMILES

CC(=CCN(C1CCN(CC1)C(=O)O)C2=CC=C(C=C2)I)C

InChI

InChI=1S/C17H23IN2O2/c1-13(2)7-12-20(15-5-3-14(18)4-6-15)16-8-10-19(11-9-16)17(21)22/h3-7,16H,8-12H2,1-2H3,(H,21,22)