methyl 4-[3-[4-(3-azanylpropylamino)butylamino]propylcarbamoyl]benzoate trihydrochloride

Systemtic Name: methyl 4-[3-[4-(3-azanylpropylamino)butylamino]propylcarbamoyl]benzoate trihydrochloride Openeye Name: methyl 4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]benzoate trihydrochloride CAS Name: 4-[[3-[4-(3-aminopropylamino)butylamino]propylamino]-oxomethyl]benzoic acid methyl ester trihydrochloride IUPAC Name: methyl 4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]benzoate trihydrochloride Traditional Name: 4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]benzoic acid methyl ester trihydrochloride Formula: C19H35Cl3N4O3 MolecularWeight: 473.8652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl

InChI

InChI=1S/C19H32N4O3.3ClH/c1-26-19(25)17-8-6-16(7-9-17)18(24)23-15-5-14-22-12-3-2-11-21-13-4-10-20;;;/h6-9,21-22H,2-5,10-15,20H2,1H3,(H,23,24);3*1H