methyl 2-[4-[[[3-(2-cyanoethanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[[3-(2-cyanoethanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[3-[(2-cyanoacetyl)amino]-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)NC(=O)CC#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)NC(=O)CC#N

InChI

InChI=1S/C23H20N4O3/c1-30-23(29)19-6-3-2-5-18(19)17-10-8-16(9-11-17)15-26-22-20(7-4-14-25-22)27-21(28)12-13-24/h2-11,14H,12,15H2,1H3,(H,25,26)(H,27,28)