7-chloranylheptyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 7-chloranylheptyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 7-chloroheptyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 7-chloroheptyl ester IUPAC Name: 7-chloroheptyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 7-chloroheptyl ester Formula: C23H36BrClN2O2 MolecularWeight: 487.90114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCCCCl)Br)N

Isomeric SMILES

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCCCCl)Br)N

InChI

InChI=1S/C23H36BrClN2O2/c1-2-23(11-7-6-8-12-23)27-17-19-15-18(16-20(24)21(19)26)22(28)29-14-10-5-3-4-9-13-25/h15-16,27H,2-14,17,26H2,1H3