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

Systemtic Name: methyl 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanoylamino]benzoate dihydrochloride Openeye Name: methyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate dihydrochloride CAS Name: 4-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate dihydrochloride Traditional Name: 4-[[2-[4-(4-methoxyphenyl)piperazino]acetyl]amino]benzoic acid methyl ester dihydrochloride Formula: C21H27Cl2N3O4 MolecularWeight: 456.36278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC.Cl.Cl

InChI

InChI=1S/C21H25N3O4.2ClH/c1-27-19-9-7-18(8-10-19)24-13-11-23(12-14-24)15-20(25)22-17-5-3-16(4-6-17)21(26)28-2;;/h3-10H,11-15H2,1-2H3,(H,22,25);2*1H