9-chloranylnonyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 9-chloranylnonyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 9-chlorononyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 9-chlorononyl ester IUPAC Name: 9-chlorononyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 9-chlorononyl ester Formula: C25H40BrClN2O2 MolecularWeight: 515.9543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40BrClN2O2/c1-2-25(13-9-8-10-14-25)29-19-21-17-20(18-22(26)23(21)28)24(30)31-16-12-7-5-3-4-6-11-15-27/h17-18,29H,2-16,19,28H2,1H3