[4-(2-azanylethyl)-2-(6-methylpyridin-3-yl)carbonyloxy-phenyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [4-(2-azanylethyl)-2-(6-methylpyridin-3-yl)carbonyloxy-phenyl] 6-methylpyridine-3-carboxylate Openeye Name: [4-(2-aminoethyl)-2-(6-methylpyridine-3-carbonyl)oxy-phenyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [4-(2-aminoethyl)-2-[(6-methyl-3-pyridinyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-(2-aminoethyl)-2-(6-methylpyridine-3-carbonyl)oxyphenyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [4-(2-aminoethyl)-2-(6-methylnicotinoyl)oxy-phenyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCN)OC(=O)C3=CN=C(C=C3)C

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCN)OC(=O)C3=CN=C(C=C3)C

InChI

InChI=1S/C22H21N3O4/c1-14-3-6-17(12-24-14)21(26)28-19-8-5-16(9-10-23)11-20(19)29-22(27)18-7-4-15(2)25-13-18/h3-8,11-13H,9-10,23H2,1-2H3