ethyl 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]benzoic acid ethyl ester Formula: C25H30ClN3O5 MolecularWeight: 487.9758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C25H30ClN3O5/c1-5-33-25(32)19-6-7-22(29-10-8-28(9-11-29)18(4)30)21(14-19)27-23(31)15-34-20-12-16(2)24(26)17(3)13-20/h6-7,12-14H,5,8-11,15H2,1-4H3,(H,27,31)