4-chloranylbutyl 4-azanyl-3-bromanyl-5-[[(1-methylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-bromanyl-5-[[(1-methylcyclohexyl)amino]methyl]benzoate Openeye Name: 4-chlorobutyl 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoic acid 4-chlorobutyl ester Formula: C19H28BrClN2O2 MolecularWeight: 431.79482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

Isomeric SMILES

CC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

InChI

InChI=1S/C19H28BrClN2O2/c1-19(7-3-2-4-8-19)23-13-15-11-14(12-16(20)17(15)22)18(24)25-10-6-5-9-21/h11-12,23H,2-10,13,22H2,1H3