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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C22H26ClN3O3/c1-3-29-22(28)17-5-8-19(9-6-17)24-21(27)15-25-10-12-26(13-11-25)20-14-18(23)7-4-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)