4-chloranylbutyl 4-azanyl-3-bromanyl-5-[(cyclohexylamino)methyl]benzoate

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-bromanyl-5-[(cyclohexylamino)methyl]benzoate Openeye Name: 4-chlorobutyl 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoic acid 4-chlorobutyl ester Formula: C18H26BrClN2O2 MolecularWeight: 417.76824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

Isomeric SMILES

C1CCC(CC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

InChI

InChI=1S/C18H26BrClN2O2/c19-16-11-13(18(23)24-9-5-4-8-20)10-14(17(16)21)12-22-15-6-2-1-3-7-15/h10-11,15,22H,1-9,12,21H2