4-chloranylbutyl 4-azanyl-3-bromanyl-5-[[(2-methylphenyl)methylamino]methyl]benzoate

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-bromanyl-5-[[(2-methylphenyl)methylamino]methyl]benzoate Openeye Name: 4-chlorobutyl 4-amino-3-bromo-5-[(o-tolylmethylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(2-methylphenyl)methylamino]methyl]benzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-bromo-5-[[(2-methylphenyl)methylamino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(2-methylbenzyl)amino]methyl]benzoic acid 4-chlorobutyl ester Formula: C20H24BrClN2O2 MolecularWeight: 439.77376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

Isomeric SMILES

CC1=CC=CC=C1CNCC2=C(C(=CC(=C2)C(=O)OCCCCCl)Br)N

InChI

InChI=1S/C20H24BrClN2O2/c1-14-6-2-3-7-15(14)12-24-13-17-10-16(11-18(21)19(17)23)20(25)26-9-5-4-8-22/h2-3,6-7,10-11,24H,4-5,8-9,12-13,23H2,1H3