diethyl 2-acetamido-2-[2-[3-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-[3-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-[3-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate CAS Name: 2-acetamido-2-[2-[3-[(E)-oct-1-enyl]phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-[3-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-[3-[(E)-oct-1-enyl]phenyl]ethyl]malonic acid diethyl ester Formula: C25H37NO5 MolecularWeight: 431.56498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1=CC(=CC=C1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCC/C=C/C1=CC(=CC=C1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C25H37NO5/c1-5-8-9-10-11-12-14-21-15-13-16-22(19-21)17-18-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h12-16,19H,5-11,17-18H2,1-4H3,(H,26,27)/b14-12+