4-[2-[(1E)-cycloocten-1-yl]ethylamino]benzoic acid

Systemtic Name: 4-[2-[(1E)-cycloocten-1-yl]ethylamino]benzoic acid Openeye Name: 4-[2-[(1E)-cycloocten-1-yl]ethylamino]benzoic acid CAS Name: 4-[2-[(1E)-1-cyclooctenyl]ethylamino]benzoic acid IUPAC Name: 4-[2-[(1E)-cycloocten-1-yl]ethylamino]benzoic acid Traditional Name: 4-[2-[(1E)-cycloocten-1-yl]ethylamino]benzoic acid Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=CCC1)CCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC/C(=C\CC1)/CCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H23NO2/c19-17(20)15-8-10-16(11-9-15)18-13-12-14-6-4-2-1-3-5-7-14/h6,8-11,18H,1-5,7,12-13H2,(H,19,20)/b14-6+