methyl 6-[(5-bromanyl-2-phenethyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(5-bromanyl-2-phenethyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[(5-bromo-2-phenethyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenethylphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(5-bromo-2-phenethylphenyl)methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[(5-bromo-2-phenethyl-benzyl)-ethyl-amino]nicotinic acid methyl ester Formula: C24H25BrN2O2 MolecularWeight: 453.3715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)CCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)CCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H25BrN2O2/c1-3-27(23-14-12-20(16-26-23)24(28)29-2)17-21-15-22(25)13-11-19(21)10-9-18-7-5-4-6-8-18/h4-8,11-16H,3,9-10,17H2,1-2H3