4-[[1-(4-bromophenyl)-3-oxidanylidene-3-phenyl-propyl]amino]benzoic acid hydrochloride

Systemtic Name: 4-[[1-(4-bromophenyl)-3-oxidanylidene-3-phenyl-propyl]amino]benzoic acid hydrochloride Openeye Name: 4-[[1-(4-bromophenyl)-3-oxo-3-phenyl-propyl]amino]benzoic acid hydrochloride CAS Name: 4-[[1-(4-bromophenyl)-3-oxo-3-phenylpropyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[1-(4-bromophenyl)-3-oxo-3-phenylpropyl]amino]benzoic acid hydrochloride Traditional Name: 4-[[1-(4-bromophenyl)-3-keto-3-phenyl-propyl]amino]benzoic acid hydrochloride Formula: C22H19BrClNO3 MolecularWeight: 460.74816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C22H18BrNO3.ClH/c23-18-10-6-15(7-11-18)20(14-21(25)16-4-2-1-3-5-16)24-19-12-8-17(9-13-19)22(26)27;/h1-13,20,24H,14H2,(H,26,27);1H