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

Systemtic Name: methyl 2-[4-[[[3-(2-cyanoethanoylamino)-4-methyl-pyridin-2-yl]amino]methyl]cyclohexen-1-yl]benzoate Openeye Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]cyclohexen-1-yl]benzoate CAS Name: 2-[4-[[[3-[(2-cyano-1-oxoethyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-1-cyclohexenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methylpyridin-2-yl]amino]methyl]cyclohexen-1-yl]benzoate Traditional Name: 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridyl]amino]methyl]cyclohexen-1-yl]benzoic acid methyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NCC2CCC(=CC2)C3=CC=CC=C3C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NC=C1)NCC2CCC(=CC2)C3=CC=CC=C3C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C24H26N4O3/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/h3-6,9,12,14,17H,7-8,10-11,15H2,1-2H3,(H,26,27)(H,28,29)