butyl 4-[[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-[2-(isopropylamino)-2-oxo-ethyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[2-(isopropylamino)-2-keto-ethyl]piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC(=O)NC(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC(=O)NC(C)C

InChI

InChI=1S/C21H32N4O4/c1-4-5-14-29-20(27)17-6-8-18(9-7-17)23-21(28)25-12-10-24(11-13-25)15-19(26)22-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,22,26)(H,23,28)