4-[1-fluoranyl-3-(7-fluoranyl-1,3-benzoxazol-6-yl)-3-isoquinolin-1-yl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[1-fluoranyl-3-(7-fluoranyl-1,3-benzoxazol-6-yl)-3-isoquinolin-1-yl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[1-fluoro-3-(7-fluoro-1,3-benzoxazol-6-yl)-3-(1-isoquinolyl)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[1-fluoro-3-(7-fluoro-1,3-benzoxazol-6-yl)-3-(1-isoquinolinyl)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[1-fluoro-3-(7-fluoro-1,3-benzoxazol-6-yl)-3-isoquinolin-1-yl-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[1-fluoro-3-(7-fluoro-1,3-benzoxazol-6-yl)-3-(1-isoquinolyl)-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C30H29F2N3O5 MolecularWeight: 549.565166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)C(C2=C(C3=C(C=C2)N=CO3)F)C4=NC=CC5=CC=CC=C54)(OC6CCC(CC6)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)C(C2=C(C3=C(C=C2)N=CO3)F)C4=NC=CC5=CC=CC=C54)(OC6CCC(CC6)C(=O)O)F

InChI

InChI=1S/C30H29F2N3O5/c31-25-22(11-12-23-27(25)39-17-34-23)24(26-21-6-2-1-5-18(21)13-14-33-26)28(36)30(32,35-15-3-4-16-35)40-20-9-7-19(8-10-20)29(37)38/h1-2,5-6,11-14,17,19-20,24H,3-4,7-10,15-16H2,(H,37,38)