3-bromanyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid Openeye Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid CAS Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid IUPAC Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid Traditional Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid Formula: C14H19BrN2O2 MolecularWeight: 327.21686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CN1CCCN(CC1)CC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C14H19BrN2O2/c1-16-5-2-6-17(8-7-16)10-12-4-3-11(14(18)19)9-13(12)15/h3-4,9H,2,5-8,10H2,1H3,(H,18,19)