5-[3-[(4-dimethylaminophenyl)carbonylamino]phenyl]-2-phenethyl-pentanoic acid hydrochloride

Systemtic Name: 5-[3-[(4-dimethylaminophenyl)carbonylamino]phenyl]-2-phenethyl-pentanoic acid hydrochloride Openeye Name: 5-[3-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-phenethyl-pentanoic acid hydrochloride CAS Name: 5-[3-[[(4-dimethylaminophenyl)-oxomethyl]amino]phenyl]-2-phenethylpentanoic acid hydrochloride IUPAC Name: 5-[3-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-phenethylpentanoic acid hydrochloride Traditional Name: 5-[3-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-phenethyl-valeric acid hydrochloride Formula: C28H33ClN2O3 MolecularWeight: 481.02622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CCCC(CCC3=CC=CC=C3)C(=O)O.Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CCCC(CCC3=CC=CC=C3)C(=O)O.Cl

InChI

InChI=1S/C28H32N2O3.ClH/c1-30(2)26-18-16-23(17-19-26)27(31)29-25-13-7-11-22(20-25)10-6-12-24(28(32)33)15-14-21-8-4-3-5-9-21;/h3-5,7-9,11,13,16-20,24H,6,10,12,14-15H2,1-2H3,(H,29,31)(H,32,33);1H