3-(4-chloranyl-3-methyl-phenyl)-2-[3-(dipropylamino)-2-oxidanyl-propoxy]-1-phenyl-propan-1-one hydrochloride

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-2-[3-(dipropylamino)-2-oxidanyl-propoxy]-1-phenyl-propan-1-one hydrochloride Openeye Name: 3-(4-chloro-3-methyl-phenyl)-2-[3-(dipropylamino)-2-hydroxy-propoxy]-1-phenyl-propan-1-one hydrochloride CAS Name: 3-(4-chloro-3-methylphenyl)-2-[3-(dipropylamino)-2-hydroxypropoxy]-1-phenyl-1-propanone hydrochloride IUPAC Name: 3-(4-chloro-3-methylphenyl)-2-[3-(dipropylamino)-2-hydroxypropoxy]-1-phenylpropan-1-one hydrochloride Traditional Name: 3-(4-chloro-3-methyl-phenyl)-2-[3-(dipropylamino)-2-hydroxy-propoxy]-1-phenyl-propan-1-one hydrochloride Formula: C25H35Cl2NO3 MolecularWeight: 468.4563

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC(COC(CC1=CC(=C(C=C1)Cl)C)C(=O)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCCN(CCC)CC(COC(CC1=CC(=C(C=C1)Cl)C)C(=O)C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C25H34ClNO3.ClH/c1-4-13-27(14-5-2)17-22(28)18-30-24(25(29)21-9-7-6-8-10-21)16-20-11-12-23(26)19(3)15-20;/h6-12,15,22,24,28H,4-5,13-14,16-18H2,1-3H3;1H