methyl 2-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]-4-oxidanyl-piperidin-1-yl]benzoate

Systemtic Name: methyl 2-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]-4-oxidanyl-piperidin-1-yl]benzoate Openeye Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]-4-hydroxy-1-piperidyl]benzoate CAS Name: 2-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-4-hydroxy-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methylpyridin-2-yl]amino]methyl]-4-hydroxypiperidin-1-yl]benzoate Traditional Name: 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]-4-hydroxy-piperidino]benzoic acid methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2(CCN(CC2)C3=CC=CC=C3C(=O)OC)O)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2(CCN(CC2)C3=CC=CC=C3C(=O)OC)O)NC(=O)CC#N

InChI

InChI=1S/C23H27N5O4/c1-16-8-12-25-21(20(16)27-19(29)7-11-24)26-15-23(31)9-13-28(14-10-23)18-6-4-3-5-17(18)22(30)32-2/h3-6,8,12,31H,7,9-10,13-15H2,1-2H3,(H,25,26)(H,27,29)