2-[[2-(2-diethylaminoethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]benzoic acid hydrochloride

Systemtic Name: 2-[[2-(2-diethylaminoethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]benzoic acid hydrochloride Openeye Name: 2-[[2-(2-diethylaminoethylamino)-2-oxo-1-phenyl-ethyl]amino]benzoic acid hydrochloride CAS Name: 2-[[2-(2-diethylaminoethylamino)-2-oxo-1-phenylethyl]amino]benzoic acid hydrochloride IUPAC Name: 2-[[2-(2-diethylaminoethylamino)-2-oxo-1-phenylethyl]amino]benzoic acid hydrochloride Traditional Name: 2-[[2-(2-diethylaminoethylamino)-2-keto-1-phenyl-ethyl]amino]benzoic acid hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C(C1=CC=CC=C1)NC2=CC=CC=C2C(=O)O.Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C(C1=CC=CC=C1)NC2=CC=CC=C2C(=O)O.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c1-3-24(4-2)15-14-22-20(25)19(16-10-6-5-7-11-16)23-18-13-9-8-12-17(18)21(26)27;/h5-13,19,23H,3-4,14-15H2,1-2H3,(H,22,25)(H,26,27);1H