methyl 1-[(5-bromanyl-2-phenethyl-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(5-bromanyl-2-phenethyl-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Openeye Name: methyl 1-[(5-bromo-2-phenethyl-phenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate CAS Name: 1-[(5-bromo-2-phenethylphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[(5-bromo-2-phenethylphenyl)methyl]-6-(ethylamino)-2H-pyridine-3-carboxylate Traditional Name: 1-(5-bromo-2-phenethyl-benzyl)-6-(ethylamino)-2H-pyridine-3-carboxylic acid methyl ester Formula: C24H27BrN2O2 MolecularWeight: 455.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCNC1=CC=C(CN1CC2=C(C=CC(=C2)Br)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H27BrN2O2/c1-3-26-23-14-12-20(24(28)29-2)16-27(23)17-21-15-22(25)13-11-19(21)10-9-18-7-5-4-6-8-18/h4-8,11-15,26H,3,9-10,16-17H2,1-2H3