methyl (6E)-9-bromanyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate

Systemtic Name: methyl (6E)-9-bromanyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Openeye Name: methyl (6E)-9-bromo-1-isobutyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate CAS Name: (6E)-9-bromo-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester IUPAC Name: methyl (6E)-9-bromo-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Traditional Name: (6E)-9-bromo-1-isobutyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester Formula: C18H24BrNO2 MolecularWeight: 366.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCCCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)CN1CCCC/C(=C\C2=C1C=CC(=C2)Br)/C(=O)OC

InChI

InChI=1S/C18H24BrNO2/c1-13(2)12-20-9-5-4-6-14(18(21)22-3)10-15-11-16(19)7-8-17(15)20/h7-8,10-11,13H,4-6,9,12H2,1-3H3/b14-10+