3-[(4-dodecylphenyl)amino]-1-(4-fluorophenyl)propan-1-one hydrochloride

Systemtic Name: 3-[(4-dodecylphenyl)amino]-1-(4-fluorophenyl)propan-1-one hydrochloride Openeye Name: 3-(4-dodecylanilino)-1-(4-fluorophenyl)propan-1-one hydrochloride CAS Name: 3-(4-dodecylanilino)-1-(4-fluorophenyl)-1-propanone hydrochloride IUPAC Name: 3-(4-dodecylanilino)-1-(4-fluorophenyl)propan-1-one hydrochloride Traditional Name: 1-(4-fluorophenyl)-3-(4-laurylanilino)propan-1-one hydrochloride Formula: C27H39ClFNO MolecularWeight: 448.056063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)F.Cl

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)F.Cl

InChI

InChI=1S/C27H38FNO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-19-26(20-14-23)29-22-21-27(30)24-15-17-25(28)18-16-24;/h13-20,29H,2-12,21-22H2,1H3;1H