[2-oxidanyl-1,3-bis[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]propyl] ethanoate

Systemtic Name: [2-oxidanyl-1,3-bis[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]propyl] ethanoate Openeye Name: [2-hydroxy-1,3-bis[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]propyl] acetate CAS Name: acetic acid [2-hydroxy-1,3-bis[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]propyl] ester IUPAC Name: [2-hydroxy-1,3-bis[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]propyl] acetate Traditional Name: acetic acid [2-hydroxy-1,3-bis[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]propyl] ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(CN1CCN(CC1)C2=CC=CC=CC2=O)O)N3CCN(CC3)C4=CC=CC=CC4=O

Isomeric SMILES

CC(=O)OC(C(CN1CCN(CC1)C2=CC=CC=CC2=O)O)N3CCN(CC3)C4=CC=CC=CC4=O

InChI

InChI=1S/C27H34N4O5/c1-21(32)36-27(31-18-16-30(17-19-31)23-9-5-3-7-11-25(23)34)26(35)20-28-12-14-29(15-13-28)22-8-4-2-6-10-24(22)33/h2-11,26-27,35H,12-20H2,1H3