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

Systemtic Name: methyl (6E)-9-bromanyl-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Openeye Name: methyl (6E)-9-bromo-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate CAS Name: (6E)-9-bromo-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester IUPAC Name: methyl (6E)-9-bromo-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Traditional Name: (6E)-9-bromo-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester Formula: C17H22BrNO2 MolecularWeight: 352.26608

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CCCN1CCCC/C(=C\C2=C1C=CC(=C2)Br)/C(=O)OC

InChI

InChI=1S/C17H22BrNO2/c1-3-9-19-10-5-4-6-13(17(20)21-2)11-14-12-15(18)7-8-16(14)19/h7-8,11-12H,3-6,9-10H2,1-2H3/b13-11+