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

Systemtic Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-3-isoquinolin-1-yl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-isoquinolyl)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-isoquinolinyl)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-isoquinolin-1-yl-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-isoquinolyl)-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C31H32FN3O5 MolecularWeight: 545.601283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)OC(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=NC=CC5=CC=CC=C54)(N6CCCC6)F

Isomeric SMILES

COC(=O)C1CCC(CC1)OC(C(=O)C(C2=CC3=C(C=C2)N=CO3)C4=NC=CC5=CC=CC=C54)(N6CCCC6)F

InChI

InChI=1S/C31H32FN3O5/c1-38-30(37)21-8-11-23(12-9-21)40-31(32,35-16-4-5-17-35)29(36)27(22-10-13-25-26(18-22)39-19-34-25)28-24-7-3-2-6-20(24)14-15-33-28/h2-3,6-7,10,13-15,18-19,21,23,27H,4-5,8-9,11-12,16-17H2,1H3