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

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[[(1-methylcyclohexyl)amino]methyl]benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-methylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester Formula: C20H31BrN2O3 MolecularWeight: 427.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31BrN2O3/c1-20(8-4-2-5-9-20)23-14-16-12-15(13-17(21)18(16)22)19(25)26-11-7-3-6-10-24/h12-13,23-24H,2-11,14,22H2,1H3