ethyl 4-[2-[[3-(2-ethylbutanoylamino)phenyl]carbonylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-(2-ethylbutanoylamino)phenyl]carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[[3-[(2-ethyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C27H34N4O5/c1-4-19(5-2)24(32)28-21-11-9-10-20(18-21)25(33)29-23-13-8-7-12-22(23)26(34)30-14-16-31(17-15-30)27(35)36-6-3/h7-13,18-19H,4-6,14-17H2,1-3H3,(H,28,32)(H,29,33)