4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-3-isoquinolin-1-yl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-3-isoquinolin-1-yl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-isoquinolyl)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-isoquinolinyl)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-isoquinolin-1-yl-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-isoquinolyl)-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C30H30FN3O5 MolecularWeight: 531.574703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=NC=CC5=CC=CC=C54)(OC6CCC(CC6)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=NC=CC5=CC=CC=C54)(OC6CCC(CC6)C(=O)O)F

InChI

InChI=1S/C30H30FN3O5/c31-30(34-15-3-4-16-34,39-22-10-7-20(8-11-22)29(36)37)28(35)26(21-9-12-24-25(17-21)38-18-33-24)27-23-6-2-1-5-19(23)13-14-32-27/h1-2,5-6,9,12-14,17-18,20,22,26H,3-4,7-8,10-11,15-16H2,(H,36,37)