bis[[3,4-bis[2-(dipropylamino)-2-oxidanylidene-ethoxy]phenyl]methyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[[3,4-bis[2-(dipropylamino)-2-oxidanylidene-ethoxy]phenyl]methyl] benzene-1,4-dicarboxylate Openeye Name: bis[[3,4-bis[2-(dipropylamino)-2-oxo-ethoxy]phenyl]methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[[3,4-bis[2-(dipropylamino)-2-oxoethoxy]phenyl]methyl] ester IUPAC Name: bis[[3,4-bis[2-(dipropylamino)-2-oxoethoxy]phenyl]methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[3,4-bis[2-(dipropylamino)-2-keto-ethoxy]benzyl] ester Formula: C54H78N4O12 MolecularWeight: 975.21672

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OCC(=O)N(CCC)CCC)OCC(=O)N(CCC)CCC)OCC(=O)N(CCC)CCC

Isomeric SMILES

CCCN(CCC)C(=O)COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OCC(=O)N(CCC)CCC)OCC(=O)N(CCC)CCC)OCC(=O)N(CCC)CCC

InChI

InChI=1S/C54H78N4O12/c1-9-25-55(26-10-2)49(59)37-65-45-23-17-41(33-47(45)67-39-51(61)57(29-13-5)30-14-6)35-69-53(63)43-19-21-44(22-20-43)54(64)70-36-42-18-24-46(66-38-50(60)56(27-11-3)28-12-4)48(34-42)68-40-52(62)58(31-15-7)32-16-8/h17-24,33-34H,9-16,25-32,35-40H2,1-8H3