[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C20H28N4O5/c1-14(2)22-20(28)21-12-16-4-6-17(7-5-16)19(27)29-13-18(26)24-10-8-23(9-11-24)15(3)25/h4-7,14H,8-13H2,1-3H3,(H2,21,22,28)