2-(2-hydroxyethyloxy)ethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate

Systemtic Name: 2-(2-hydroxyethyloxy)ethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate Openeye Name: 2-(2-hydroxyethoxy)ethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoate CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid 2-(2-hydroxyethoxy)ethyl ester IUPAC Name: 2-(2-hydroxyethoxy)ethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid 2-(2-hydroxyethoxy)ethyl ester Formula: C18H27BrN2O4 MolecularWeight: 415.32198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCOCCO)Br)N

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCOCCO)Br)N

InChI

InChI=1S/C18H27BrN2O4/c19-16-12-14(18(23)25-10-9-24-8-7-22)11-15(17(16)20)13-21-5-3-1-2-4-6-21/h11-12,22H,1-10,13,20H2