methyl 4-[[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(5-chloro-2-methyl-phenyl)piperazino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

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