2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-[(pyridin-2-ylamino)methyl]phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-[(pyridin-2-ylamino)methyl]phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(2-pyridylamino)methyl]phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(2-pyridinylamino)methyl]phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(pyridin-2-ylamino)methyl]phenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(2-pyridylamino)methyl]phenyl]acetate Formula: C23H21N4O3- MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)CNC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)CNC3=CC=CC=N3

InChI

InChI=1S/C23H22N4O3/c1-2-30-20-12-17(15-26-21-5-3-4-10-25-21)11-18(13-20)22(23(28)29)27-19-8-6-16(14-24)7-9-19/h3-13,22,27H,2,15H2,1H3,(H,25,26)(H,28,29)/p-1