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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C24H22N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-10,12,14H,11,15H2,1-2H3,(H,26,27)(H,28,29)