4-[1-(3-cyanophenyl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(3-cyanophenyl)ethylamino]benzoic acid Openeye Name: 4-[1-(3-cyanophenyl)ethylamino]benzoic acid CAS Name: 4-[1-(3-cyanophenyl)ethylamino]benzoic acid IUPAC Name: 4-[1-(3-cyanophenyl)ethylamino]benzoic acid Traditional Name: 4-[1-(3-cyanophenyl)ethylamino]benzoic acid Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2/c1-11(14-4-2-3-12(9-14)10-17)18-15-7-5-13(6-8-15)16(19)20/h2-9,11,18H,1H3,(H,19,20)