8-chloranyloctyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 8-chloranyloctyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 8-chlorooctyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 8-chlorooctyl ester IUPAC Name: 8-chlorooctyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 8-chlorooctyl ester Formula: C24H38BrClN2O2 MolecularWeight: 501.92772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38BrClN2O2/c1-2-24(12-8-7-9-13-24)28-18-20-16-19(17-21(25)22(20)27)23(29)30-15-11-6-4-3-5-10-14-26/h16-17,28H,2-15,18,27H2,1H3