ethyl 4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]ethyl]benzoate

Systemtic Name: ethyl 4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]ethyl]benzoate Openeye Name: ethyl 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoate CAS Name: 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoate Traditional Name: 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid ethyl ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)OCC)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)OCC)O

InChI

InChI=1S/C23H33NO4/c1-3-5-6-7-21(25)14-12-20-13-15-22(26)24(20)17-16-18-8-10-19(11-9-18)23(27)28-4-2/h8-12,14,20-21,25H,3-7,13,15-17H2,1-2H3/b14-12+