methyl 4-(4-ethanoylpiperazin-1-yl)-3-(2-phenoxyethanoylamino)benzoate

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-(2-phenoxyethanoylamino)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-phenoxyacetyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[(1-oxo-2-phenoxyethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-phenoxyacetyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2-phenoxyacetyl)amino]benzoic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-16(26)24-10-12-25(13-11-24)20-9-8-17(22(28)29-2)14-19(20)23-21(27)15-30-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)