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

Systemtic Name: methyl 2-[4-[[[3-(3-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[3-(3-cyanopropanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[3-[(3-cyano-1-oxopropyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-(3-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[3-(3-cyanopropanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3/c1-31-24(30)20-7-3-2-6-19(20)18-12-10-17(11-13-18)16-27-23-21(8-5-15-26-23)28-22(29)9-4-14-25/h2-3,5-8,10-13,15H,4,9,16H2,1H3,(H,26,27)(H,28,29)