butyl 4-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: butyl 4-[[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: butyl 4-[[4-(4-acetylpiperazin-1-yl)-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-(4-acetyl-1-piperazinyl)-1,4-dioxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(4-acetylpiperazin-1-yl)-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-(4-acetylpiperazino)-4-keto-butanoyl]amino]benzoic acid butyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-3-4-15-29-21(28)17-5-7-18(8-6-17)22-19(26)9-10-20(27)24-13-11-23(12-14-24)16(2)25/h5-8H,3-4,9-15H2,1-2H3,(H,22,26)