methyl 4-[2-[2-(4-ethanoylpiperazin-1-yl)carbonylpyrrol-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(4-ethanoylpiperazin-1-yl)carbonylpyrrol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4-acetylpiperazine-1-carbonyl)pyrrol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(4-acetyl-1-piperazinyl)-oxomethyl]-1-pyrrolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-acetylpiperazine-1-carbonyl)pyrrol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-acetylpiperazine-1-carbonyl)pyrrol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O5/c1-15(26)23-10-12-24(13-11-23)20(28)18-4-3-9-25(18)14-19(27)22-17-7-5-16(6-8-17)21(29)30-2/h3-9H,10-14H2,1-2H3,(H,22,27)