methyl 4-(1-phenyl-2-piperazin-1-ylcarbonyl-piperidin-2-yl)butanoate dihydrochloride

Systemtic Name: methyl 4-(1-phenyl-2-piperazin-1-ylcarbonyl-piperidin-2-yl)butanoate dihydrochloride Openeye Name: methyl 4-[1-phenyl-2-(piperazine-1-carbonyl)-2-piperidyl]butanoate dihydrochloride CAS Name: 4-[2-[oxo(1-piperazinyl)methyl]-1-phenyl-2-piperidinyl]butanoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[1-phenyl-2-(piperazine-1-carbonyl)piperidin-2-yl]butanoate dihydrochloride Traditional Name: 4-[1-phenyl-2-(piperazine-1-carbonyl)-2-piperidyl]butyric acid methyl ester dihydrochloride Formula: C21H33Cl2N3O3 MolecularWeight: 446.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1(CCCCN1C2=CC=CC=C2)C(=O)N3CCNCC3.Cl.Cl

Isomeric SMILES

COC(=O)CCCC1(CCCCN1C2=CC=CC=C2)C(=O)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C21H31N3O3.2ClH/c1-27-19(25)10-7-12-21(20(26)23-16-13-22-14-17-23)11-5-6-15-24(21)18-8-3-2-4-9-18;;/h2-4,8-9,22H,5-7,10-17H2,1H3;2*1H