methyl 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C23H26ClN3O5 MolecularWeight: 459.92264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C23H26ClN3O5/c1-15-12-18(5-6-19(15)24)32-14-22(29)25-20-13-17(23(30)31-3)4-7-21(20)27-10-8-26(9-11-27)16(2)28/h4-7,12-13H,8-11,14H2,1-3H3,(H,25,29)