3,4,5-trimethoxy-4-[1-(4-phenylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1-carboxylate CAS Name: 3,4,5-trimethoxy-4-[1-(4-phenyl-1-piperazinyl)butyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazino)butyl]cyclohexa-2,5-diene-1-carboxylate Formula: C24H33N2O5- MolecularWeight: 429.52922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(C(=CC(C=C1OC)C(=O)[O-])OC)OC)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCC(C1(C(=CC(C=C1OC)C(=O)[O-])OC)OC)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H34N2O5/c1-5-9-20(26-14-12-25(13-15-26)19-10-7-6-8-11-19)24(31-4)21(29-2)16-18(23(27)28)17-22(24)30-3/h6-8,10-11,16-18,20H,5,9,12-15H2,1-4H3,(H,27,28)/p-1