4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methylamino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methylamino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[[2-(2-amino-2-oxo-ethoxy)-5-bromo-phenyl]methylamino]methyl]benzoic acid hydrochloride CAS Name: 4-[[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylamino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylamino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[[2-(2-amino-2-keto-ethoxy)-5-bromo-benzyl]amino]methyl]benzoic acid hydrochloride Formula: C17H18BrClN2O4 MolecularWeight: 429.69282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Br)OCC(=O)N)C(=O)O.Cl

Isomeric SMILES

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Br)OCC(=O)N)C(=O)O.Cl

InChI

InChI=1S/C17H17BrN2O4.ClH/c18-14-5-6-15(24-10-16(19)21)13(7-14)9-20-8-11-1-3-12(4-2-11)17(22)23;/h1-7,20H,8-10H2,(H2,19,21)(H,22,23);1H