2-chloroethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate

Systemtic Name: 2-chloroethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: 2-chloroethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-chloroethyl ester Formula: C18H26BrClN2O2 MolecularWeight: 417.76824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OCCCl)Br)N)C2CCCCC2

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OCCCl)Br)N)C2CCCCC2

InChI

InChI=1S/C18H26BrClN2O2/c1-2-22(15-6-4-3-5-7-15)12-14-10-13(11-16(19)17(14)21)18(23)24-9-8-20/h10-11,15H,2-9,12,21H2,1H3