2-[(4-cyanophenyl)amino]-2-[4-(diethylamino)-3-ethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[4-(diethylamino)-3-ethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[4-(diethylamino)-3-ethoxy-phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[4-(diethylamino)-3-ethoxyphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[4-(diethylamino)-3-ethoxyphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[4-(diethylamino)-3-ethoxy-phenyl]acetic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C21H25N3O3/c1-4-24(5-2)18-12-9-16(13-19(18)27-6-3)20(21(25)26)23-17-10-7-15(14-22)8-11-17/h7-13,20,23H,4-6H2,1-3H3,(H,25,26)