7-[2-oxidanylidene-5-[(E)-3-oxidanylideneoct-1-enyl]pyrrolidin-1-yl]heptyl benzoate

Systemtic Name: 7-[2-oxidanylidene-5-[(E)-3-oxidanylideneoct-1-enyl]pyrrolidin-1-yl]heptyl benzoate Openeye Name: 7-[2-oxo-5-[(E)-3-oxooct-1-enyl]pyrrolidin-1-yl]heptyl benzoate CAS Name: benzoic acid 7-[2-oxo-5-[(E)-3-oxooct-1-enyl]-1-pyrrolidinyl]heptyl ester IUPAC Name: 7-[2-oxo-5-[(E)-3-oxooct-1-enyl]pyrrolidin-1-yl]heptyl benzoate Traditional Name: benzoic acid 7-[2-keto-5-[(E)-3-ketooct-1-enyl]pyrrolidino]heptyl ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1CCC(=O)N1CCCCCCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)/C=C/C1CCC(=O)N1CCCCCCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H37NO4/c1-2-3-8-15-24(28)18-16-23-17-19-25(29)27(23)20-11-5-4-6-12-21-31-26(30)22-13-9-7-10-14-22/h7,9-10,13-14,16,18,23H,2-6,8,11-12,15,17,19-21H2,1H3/b18-16+