methyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[4-(3-chlorophenyl)piperazino]propanoylamino]methyl]benzoic acid methyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-16(21(27)24-15-17-6-8-18(9-7-17)22(28)29-2)25-10-12-26(13-11-25)20-5-3-4-19(23)14-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,27)