2-[[4-(3-chlorophenyl)-2-ethyl-phenyl]amino]-5-cyano-benzoic acid

Systemtic Name: 2-[[4-(3-chlorophenyl)-2-ethyl-phenyl]amino]-5-cyano-benzoic acid Openeye Name: 2-[4-(3-chlorophenyl)-2-ethyl-anilino]-5-cyano-benzoic acid CAS Name: 2-[4-(3-chlorophenyl)-2-ethylanilino]-5-cyanobenzoic acid IUPAC Name: 2-[4-(3-chlorophenyl)-2-ethylanilino]-5-cyanobenzoic acid Traditional Name: 2-[4-(3-chlorophenyl)-2-ethyl-anilino]-5-cyano-benzoic acid Formula: C22H17ClN2O2 MolecularWeight: 376.83558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC(=CC=C2)Cl)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC(=CC=C2)Cl)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C22H17ClN2O2/c1-2-15-11-17(16-4-3-5-18(23)12-16)7-9-20(15)25-21-8-6-14(13-24)10-19(21)22(26)27/h3-12,25H,2H2,1H3,(H,26,27)