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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)OC2=C(C=C(C=C2)CCN)OC(=O)C3=C(N=CC=C3)C

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)OC2=C(C=C(C=C2)CCN)OC(=O)C3=C(N=CC=C3)C

InChI

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