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

Systemtic Name: 5-chloranylpentyl 4-azanyl-3-bromanyl-5-[[(2-methylphenyl)methylamino]methyl]benzoate Openeye Name: 5-chloropentyl 4-amino-3-bromo-5-[(o-tolylmethylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(2-methylphenyl)methylamino]methyl]benzoic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl 4-amino-3-bromo-5-[[(2-methylphenyl)methylamino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(2-methylbenzyl)amino]methyl]benzoic acid 5-chloropentyl ester Formula: C21H26BrClN2O2 MolecularWeight: 453.80034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrClN2O2/c1-15-7-3-4-8-16(15)13-25-14-18-11-17(12-19(22)20(18)24)21(26)27-10-6-2-5-9-23/h3-4,7-8,11-12,25H,2,5-6,9-10,13-14,24H2,1H3