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

Systemtic Name: 3-[1-(3-cyanophenyl)ethylamino]-4-methyl-benzoic acid Openeye Name: 3-[1-(3-cyanophenyl)ethylamino]-4-methyl-benzoic acid CAS Name: 3-[1-(3-cyanophenyl)ethylamino]-4-methylbenzoic acid IUPAC Name: 3-[1-(3-cyanophenyl)ethylamino]-4-methylbenzoic acid Traditional Name: 3-[1-(3-cyanophenyl)ethylamino]-4-methyl-benzoic acid Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H16N2O2/c1-11-6-7-15(17(20)21)9-16(11)19-12(2)14-5-3-4-13(8-14)10-18/h3-9,12,19H,1-2H3,(H,20,21)