7-[2-[(E)-3-(3-ethylphenyl)-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-(3-ethylphenyl)-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(3-ethylphenyl)-3-hydroxy-prop-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[2-[(E)-3-(3-ethylphenyl)-3-hydroxyprop-1-enyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(3-ethylphenyl)-3-hydroxyprop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[2-[(E)-3-(3-ethylphenyl)-3-hydroxy-prop-1-enyl]-5-keto-pyrrolidino]enanthic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)C(C=CC2CCC(=O)N2CCCCCCC(=O)O)O

Isomeric SMILES

CCC1=CC(=CC=C1)C(/C=C/C2CCC(=O)N2CCCCCCC(=O)O)O

InChI

InChI=1S/C22H31NO4/c1-2-17-8-7-9-18(16-17)20(24)13-11-19-12-14-21(25)23(19)15-6-4-3-5-10-22(26)27/h7-9,11,13,16,19-20,24H,2-6,10,12,14-15H2,1H3,(H,26,27)/b13-11+