methyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]benzoate dihydrochloride

Systemtic Name: methyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]benzoate dihydrochloride Openeye Name: methyl 4-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]benzoate dihydrochloride CAS Name: 4-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]benzoate dihydrochloride Traditional Name: 4-[[2-[4-(2-hydroxyethyl)piperazino]acetyl]amino]benzoic acid methyl ester dihydrochloride Formula: C16H25Cl2N3O4 MolecularWeight: 394.2934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCO.Cl.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CCO.Cl.Cl

InChI

InChI=1S/C16H23N3O4.2ClH/c1-23-16(22)13-2-4-14(5-3-13)17-15(21)12-19-8-6-18(7-9-19)10-11-20;;/h2-5,20H,6-12H2,1H3,(H,17,21);2*1H