methyl 2-[4-[[[3-(3-cyanopropanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]-6-methyl-benzoate

Systemtic Name: methyl 2-[4-[[[3-(3-cyanopropanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]phenyl]-6-methyl-benzoate Openeye Name: methyl 2-[4-[[[3-(3-cyanopropanoylamino)-4-methyl-2-pyridyl]amino]methyl]phenyl]-6-methyl-benzoate CAS Name: 2-[4-[[[3-[(3-cyano-1-oxopropyl)amino]-4-methyl-2-pyridinyl]amino]methyl]phenyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-(3-cyanopropanoylamino)-4-methylpyridin-2-yl]amino]methyl]phenyl]-6-methylbenzoate Traditional Name: 2-[4-[[[3-(3-cyanopropanoylamino)-4-methyl-2-pyridyl]amino]methyl]phenyl]-6-methyl-benzoic acid methyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c1-17-6-4-7-21(23(17)26(32)33-3)20-11-9-19(10-12-20)16-29-25-24(18(2)13-15-28-25)30-22(31)8-5-14-27/h4,6-7,9-13,15H,5,8,16H2,1-3H3,(H,28,29)(H,30,31)