[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N4O4/c1-19-8-9-20(2)30(19)23-12-10-21(11-13-23)25(32)34-18-24(31)28-14-16-29(17-15-28)26(33)27-22-6-4-3-5-7-22/h3-13H,14-18H2,1-2H3,(H,27,33)