7-[(1R,5S)-2-oxidanylidene-5-[4-(1-phenylmethoxyhexyl)phenyl]cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1R,5S)-2-oxidanylidene-5-[4-(1-phenylmethoxyhexyl)phenyl]cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2S)-2-[4-(1-benzyloxyhexyl)phenyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1R,5S)-2-oxo-5-[4-(1-phenylmethoxyhexyl)phenyl]cyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,5S)-2-oxo-5-[4-(1-phenylmethoxyhexyl)phenyl]cyclopentyl]heptanoic acid Traditional Name: 7-[(1R,2S)-2-[4-(1-benzoxyhexyl)phenyl]-5-keto-cyclopentyl]enanthic acid Formula: C31H42O4 MolecularWeight: 478.66278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)C2CCC(=O)C2CCCCCCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H42O4/c1-2-3-7-15-30(35-23-24-12-8-6-9-13-24)26-19-17-25(18-20-26)27-21-22-29(32)28(27)14-10-4-5-11-16-31(33)34/h6,8-9,12-13,17-20,27-28,30H,2-5,7,10-11,14-16,21-23H2,1H3,(H,33,34)/t27-,28-,30?/m1/s1