(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-tert-butylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid

Systemtic Name: (Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-tert-butylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid Openeye Name: (Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-tert-butyl-3-pyridyl)phenyl]methoxy]cyclopentoxy]hex-4-enoic acid CAS Name: (Z)-6-[(1R,2S,5R)-2-(1-azepanyl)-5-[[4-(4-tert-butyl-3-pyridinyl)phenyl]methoxy]cyclopentyl]oxy-4-hexenoic acid IUPAC Name: (Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-tert-butylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid Traditional Name: (Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[4-(4-tert-butyl-3-pyridyl)benzyl]oxy-cyclopentoxy]hex-4-enoic acid Formula: C33H46N2O4 MolecularWeight: 534.72934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NC=C1)C2=CC=C(C=C2)COC3CCC(C3OCC=CCCC(=O)O)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=C(C=NC=C1)C2=CC=C(C=C2)CO[C@@H]3CC[C@@H]([C@H]3OC/C=C\CCC(=O)O)N4CCCCCC4

InChI

InChI=1S/C33H46N2O4/c1-33(2,3)28-18-19-34-23-27(28)26-14-12-25(13-15-26)24-39-30-17-16-29(35-20-8-4-5-9-21-35)32(30)38-22-10-6-7-11-31(36)37/h6,10,12-15,18-19,23,29-30,32H,4-5,7-9,11,16-17,20-22,24H2,1-3H3,(H,36,37)/b10-6-/t29-,30+,32+/m0/s1