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

Systemtic Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 3,4,5-trimethoxy-4-[1-(4-phenyl-1-piperazinyl)butyl]-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazin-1-yl)butyl]cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 3,4,5-trimethoxy-4-[1-(4-phenylpiperazino)butyl]cyclohexa-2,5-diene-1-carboxylic acid Formula: C24H34N2O5 MolecularWeight: 430.53716

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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)