[2-(hydroxymethyl)-2-methyl-pentyl] 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-pentyl] 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: [2-(hydroxymethyl)-2-methyl-pentyl] 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid [2-(hydroxymethyl)-2-methylpentyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methylpentyl] 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid (2-methyl-2-methylol-pentyl) ester Formula: C23H37BrN2O3 MolecularWeight: 469.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CO)COC(=O)C1=CC(=C(C(=C1)Br)N)CNC2(CCCCC2)CC

Isomeric SMILES

CCCC(C)(CO)COC(=O)C1=CC(=C(C(=C1)Br)N)CNC2(CCCCC2)CC

InChI

InChI=1S/C23H37BrN2O3/c1-4-9-22(3,15-27)16-29-21(28)17-12-18(20(25)19(24)13-17)14-26-23(5-2)10-7-6-8-11-23/h12-13,26-27H,4-11,14-16,25H2,1-3H3