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

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[[(2-methylphenyl)methylamino]methyl]benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-[(o-tolylmethylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(2-methylphenyl)methylamino]methyl]benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-[[(2-methylphenyl)methylamino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(2-methylbenzyl)amino]methyl]benzoic acid 5-hydroxypentyl ester Formula: C21H27BrN2O3 MolecularWeight: 435.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3/c1-15-7-3-4-8-16(15)13-24-14-18-11-17(12-19(22)20(18)23)21(26)27-10-6-2-5-9-25/h3-4,7-8,11-12,24-25H,2,5-6,9-10,13-14,23H2,1H3