O1-[4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-[(Z)-N-prop-2-enoxy-C-propyl-carbonimidoyl]cyclohexen-1-yl] O4-[4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-[(E)-N-prop-2-enoxy-C-propyl-carbonimidoyl]cyclohexen-1-yl] benzene-1,4-dicarboxylate

Systemtic Name: O1-[4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-[(Z)-N-prop-2-enoxy-C-propyl-carbonimidoyl]cyclohexen-1-yl] O4-[4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-[(E)-N-prop-2-enoxy-C-propyl-carbonimidoyl]cyclohexen-1-yl] benzene-1,4-dicarboxylate Openeye Name: O1-[2-[(Z)-N-allyloxy-C-propyl-carbonimidoyl]-4-methoxycarbonyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl] O4-[2-[(E)-N-allyloxy-C-propyl-carbonimidoyl]-4-methoxycarbonyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-[4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(1Z)-1-prop-2-enoxyiminobutyl]-1-cyclohexenyl] ester O4-[4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(1E)-1-prop-2-enoxyiminobutyl]-1-cyclohexenyl] ester IUPAC Name: 1-O-[4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(Z)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexen-1-yl] 4-O-[4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexen-1-yl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-[2-[(Z)-N-allyloxy-C-propyl-carbonimidoyl]-4-carbomethoxy-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester O4-[2-[(E)-N-allyloxy-C-propyl-carbonimidoyl]-4-carbomethoxy-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C42H52N2O12 MolecularWeight: 776.86848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC=C)C1=C(CC(C(C1=O)C(=O)OC)(C)C)OC(=O)C2=CC=C(C=C2)C(=O)OC3=C(C(=O)C(C(C3)(C)C)C(=O)OC)C(=NOCC=C)CCC

Isomeric SMILES

CCC/C(=N\OCC=C)/C1=C(CC(C(C1=O)C(=O)OC)(C)C)OC(=O)C2=CC=C(C=C2)C(=O)OC3=C(C(=O)C(C(C3)(C)C)C(=O)OC)/C(=N\OCC=C)/CCC

InChI

InChI=1S/C42H52N2O12/c1-11-15-27(43-53-21-13-3)31-29(23-41(5,6)33(35(31)45)39(49)51-9)55-37(47)25-17-19-26(20-18-25)38(48)56-30-24-42(7,8)34(40(50)52-10)36(46)32(30)28(16-12-2)44-54-22-14-4/h13-14,17-20,33-34H,3-4,11-12,15-16,21-24H2,1-2,5-10H3/b43-27-,44-28+