methyl (5E)-5-(1-azanyloctadecylidene)-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl (5E)-5-(1-azanyloctadecylidene)-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl (5E)-5-(1-aminooctadecylidene)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate CAS Name: (5E)-5-(1-aminooctadecylidene)-2,2-dimethyl-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (5E)-5-(1-aminooctadecylidene)-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate Traditional Name: (5E)-5-(1-aminooctadecylidene)-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C28H49NO4 MolecularWeight: 463.69296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N

InChI

InChI=1S/C28H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(29)24-23(30)21-28(2,3)25(26(24)31)27(32)33-4/h25H,5-21,29H2,1-4H3/b24-22+