propan-2-yl 4-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]acetyl]amino]benzoic acid isopropyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H34N4O4/c1-16(2)30-21(29)17-6-8-18(9-7-17)23-19(27)14-25-10-12-26(13-11-25)15-20(28)24-22(3,4)5/h6-9,16H,10-15H2,1-5H3,(H,23,27)(H,24,28)