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

Systemtic Name: 2-[(E)-3-[3-(4-chlorophenyl)phenyl]-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-2-pyrrolidin-1-yl-heptanoic acid Openeye Name: 2-[(E)-3-[3-(4-chlorophenyl)phenyl]-3-hydroxy-prop-1-enyl]-5-oxo-2-pyrrolidin-1-yl-heptanoic acid CAS Name: 2-[(E)-3-[3-(4-chlorophenyl)phenyl]-3-hydroxyprop-1-enyl]-5-oxo-2-(1-pyrrolidinyl)heptanoic acid IUPAC Name: 2-[(E)-3-[3-(4-chlorophenyl)phenyl]-3-hydroxyprop-1-enyl]-5-oxo-2-pyrrolidin-1-ylheptanoic acid Traditional Name: (E)-5-[3-(4-chlorophenyl)phenyl]-5-hydroxy-2-(3-ketopentyl)-2-pyrrolidino-pent-3-enoic acid Formula: C26H30ClNO4 MolecularWeight: 455.9737

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCC(C=CC(C1=CC=CC(=C1)C2=CC=C(C=C2)Cl)O)(C(=O)O)N3CCCC3

Isomeric SMILES

CCC(=O)CCC(/C=C/C(C1=CC=CC(=C1)C2=CC=C(C=C2)Cl)O)(C(=O)O)N3CCCC3

InChI

InChI=1S/C26H30ClNO4/c1-2-23(29)12-14-26(25(31)32,28-16-3-4-17-28)15-13-24(30)21-7-5-6-20(18-21)19-8-10-22(27)11-9-19/h5-11,13,15,18,24,30H,2-4,12,14,16-17H2,1H3,(H,31,32)/b15-13+