7-[2-[(E)-4-(2-chlorophenyl)-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[2-[(E)-4-(2-chlorophenyl)-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[2-[(E)-4-(2-chlorophenyl)-3-hydroxy-but-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[2-[(E)-4-(2-chlorophenyl)-3-hydroxybut-1-enyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[2-[(E)-4-(2-chlorophenyl)-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[2-[(E)-4-(2-chlorophenyl)-3-hydroxy-but-1-enyl]-5-keto-pyrrolidino]enanthic acid Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(CC2=CC=CC=C2Cl)O)CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)N(C1/C=C/C(CC2=CC=CC=C2Cl)O)CCCCCCC(=O)O

InChI

InChI=1S/C21H28ClNO4/c22-19-8-5-4-7-16(19)15-18(24)12-10-17-11-13-20(25)23(17)14-6-2-1-3-9-21(26)27/h4-5,7-8,10,12,17-18,24H,1-3,6,9,11,13-15H2,(H,26,27)/b12-10+