2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(pyridin-3-ylmethylamino)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(pyridin-3-ylmethylamino)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(3-pyridylmethylamino)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(3-pyridinylmethylamino)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(pyridin-3-ylmethylamino)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(3-pyridylmethylamino)phenyl]acetic acid Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)NCC2=CN=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)NCC2=CN=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H22N4O2/c1-2-16-10-19(12-21(11-16)26-15-18-4-3-9-25-14-18)22(23(28)29)27-20-7-5-17(13-24)6-8-20/h3-12,14,22,26-27H,2,15H2,1H3,(H,28,29)