O3-tert-butyl O1-ethyl 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]carbonylpropanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]carbonylpropanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoyl]propanedioate CAS Name: 2-[oxo-[3-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]methyl]propanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoyl]propanedioate Traditional Name: 2-[3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoyl]malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C31H47NO5 MolecularWeight: 513.70858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC(=CC=C1)NCCCC=CCCCCCCCCC=C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC(=CC=C1)NCCC/C=C/CCCCCCCCC=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H47NO5/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-32-26-22-20-21-25(24-26)28(33)27(29(34)36-7-2)30(35)37-31(3,4)5/h6,16-17,20-22,24,27,32H,1,7-15,18-19,23H2,2-5H3/b17-16+