(phenylmethyl) 6-ethyl-2-[(4-morpholin-4-ylphenyl)amino]pyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 6-ethyl-2-[(4-morpholin-4-ylphenyl)amino]pyridine-3-carboxylate Openeye Name: benzyl 6-ethyl-2-(4-morpholinoanilino)pyridine-3-carboxylate CAS Name: 6-ethyl-2-[4-(4-morpholinyl)anilino]-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-ethyl-2-(4-morpholin-4-ylanilino)pyridine-3-carboxylate Traditional Name: 6-ethyl-2-(4-morpholinoanilino)nicotinic acid benzyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1)C(=O)OCC2=CC=CC=C2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCC1=NC(=C(C=C1)C(=O)OCC2=CC=CC=C2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H27N3O3/c1-2-20-10-13-23(25(29)31-18-19-6-4-3-5-7-19)24(26-20)27-21-8-11-22(12-9-21)28-14-16-30-17-15-28/h3-13H,2,14-18H2,1H3,(H,26,27)