methyl (5E)-3-bromanyl-10-(2-methylpropyl)-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxylate

Systemtic Name: methyl (5E)-3-bromanyl-10-(2-methylpropyl)-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxylate Openeye Name: methyl (5E)-3-bromo-10-isobutyl-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxylate CAS Name: (5E)-3-bromo-10-(2-methylpropyl)-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxylic acid methyl ester IUPAC Name: methyl (5E)-3-bromo-10-(2-methylpropyl)-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxylate Traditional Name: (5E)-3-bromo-10-isobutyl-8,9-dihydro-7H-pyrid[2,3-b]azocine-6-carboxylic acid methyl ester Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCCC(=CC2=CC(=CN=C21)Br)C(=O)OC

Isomeric SMILES

CC(C)CN1CCC/C(=C\C2=CC(=CN=C21)Br)/C(=O)OC

InChI

InChI=1S/C16H21BrN2O2/c1-11(2)10-19-6-4-5-12(16(20)21-3)7-13-8-14(17)9-18-15(13)19/h7-9,11H,4-6,10H2,1-3H3/b12-7+