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

Systemtic Name: 5-oxidanylidene-2-[(E)-3-oxidanyl-3-(3-phenylmethoxyphenyl)prop-1-enyl]-2-pyrrolidin-1-yl-heptanoic acid Openeye Name: 2-[(E)-3-(3-benzyloxyphenyl)-3-hydroxy-prop-1-enyl]-5-oxo-2-pyrrolidin-1-yl-heptanoic acid CAS Name: 2-[(E)-3-hydroxy-3-(3-phenylmethoxyphenyl)prop-1-enyl]-5-oxo-2-(1-pyrrolidinyl)heptanoic acid IUPAC Name: 2-[(E)-3-hydroxy-3-(3-phenylmethoxyphenyl)prop-1-enyl]-5-oxo-2-pyrrolidin-1-ylheptanoic acid Traditional Name: (E)-5-(3-benzoxyphenyl)-5-hydroxy-2-(3-ketopentyl)-2-pyrrolidino-pent-3-enoic acid Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCC(C=CC(C1=CC(=CC=C1)OCC2=CC=CC=C2)O)(C(=O)O)N3CCCC3

Isomeric SMILES

CCC(=O)CCC(/C=C/C(C1=CC(=CC=C1)OCC2=CC=CC=C2)O)(C(=O)O)N3CCCC3

InChI

InChI=1S/C27H33NO5/c1-2-23(29)13-15-27(26(31)32,28-17-6-7-18-28)16-14-25(30)22-11-8-12-24(19-22)33-20-21-9-4-3-5-10-21/h3-5,8-12,14,16,19,25,30H,2,6-7,13,15,17-18,20H2,1H3,(H,31,32)/b16-14+