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

Systemtic Name: 7-[2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]heptyl benzoate Openeye Name: 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-pyrrolidin-1-yl]heptyl benzoate CAS Name: benzoic acid 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-pyrrolidinyl]heptyl ester IUPAC Name: 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]heptyl benzoate Traditional Name: benzoic acid 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-pyrrolidino]heptyl ester Formula: C26H39NO4 MolecularWeight: 429.59216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@@H](/C=C/C1CCC(=O)N1CCCCCCCOC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C26H39NO4/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/h7,9-10,13-14,16,18,23-24,28H,2-6,8,11-12,15,17,19-21H2,1H3/b18-16+/t23?,24-/m0/s1