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

Systemtic Name: methyl 6-[(5-bromanyl-2-prop-2-enoxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate Openeye Name: methyl 6-[(2-allyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridine-3-carboxylate CAS Name: 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(5-bromo-2-prop-2-enoxyphenyl)methyl-ethylamino]pyridine-3-carboxylate Traditional Name: 6-[(2-allyloxy-5-bromo-benzyl)-ethyl-amino]nicotinic acid methyl ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-4-10-25-17-8-7-16(20)11-15(17)13-22(5-2)18-9-6-14(12-21-18)19(23)24-3/h4,6-9,11-12H,1,5,10,13H2,2-3H3