ethyl 2-[butyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[butyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]pyridine-3-carboxylate Openeye Name: ethyl 2-[butyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]pyridine-3-carboxylate CAS Name: 2-[butyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[butyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]pyridine-3-carboxylate Traditional Name: 2-[butyl-[4-(2-cyanophenyl)benzyl]amino]nicotinic acid ethyl ester Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CC=N3)C(=O)OCC

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CC=N3)C(=O)OCC

InChI

InChI=1S/C26H27N3O2/c1-3-5-17-29(25-24(11-8-16-28-25)26(30)31-4-2)19-20-12-14-21(15-13-20)23-10-7-6-9-22(23)18-27/h6-16H,3-5,17,19H2,1-2H3