methyl (7E)-10-bromanyl-1-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate

Systemtic Name: methyl (7E)-10-bromanyl-1-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate Openeye Name: methyl (7E)-10-bromo-1-isobutyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate CAS Name: (7E)-10-bromo-1-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid methyl ester IUPAC Name: methyl (7E)-10-bromo-1-(2-methylpropyl)-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylate Traditional Name: (7E)-10-bromo-1-isobutyl-3,4,5,6-tetrahydro-2H-1-benzazecine-7-carboxylic acid methyl ester Formula: C19H26BrNO2 MolecularWeight: 380.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCCCCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)CN1CCCCC/C(=C\C2=C1C=CC(=C2)Br)/C(=O)OC

InChI

InChI=1S/C19H26BrNO2/c1-14(2)13-21-10-6-4-5-7-15(19(22)23-3)11-16-12-17(20)8-9-18(16)21/h8-9,11-12,14H,4-7,10,13H2,1-3H3/b15-11+