ethyl 3-iodanyl-4-pyrrolidin-1-yl-benzoate

Systemtic Name: ethyl 3-iodanyl-4-pyrrolidin-1-yl-benzoate Openeye Name: ethyl 3-iodo-4-pyrrolidin-1-yl-benzoate CAS Name: 3-iodo-4-(1-pyrrolidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-iodo-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-iodo-4-pyrrolidino-benzoic acid ethyl ester Formula: C13H16INO2 MolecularWeight: 345.17611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCCC2)I

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCCC2)I

InChI

InChI=1S/C13H16INO2/c1-2-17-13(16)10-5-6-12(11(14)9-10)15-7-3-4-8-15/h5-6,9H,2-4,7-8H2,1H3