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

Systemtic Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-3-(1-methylindol-3-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-methylindol-3-yl)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-methyl-3-indolyl)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-methylindol-3-yl)-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-keto-3-(1-methylindol-3-yl)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C31H34FN3O5 MolecularWeight: 547.617163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(C3=CC4=C(C=C3)N=CO4)C(=O)C(N5CCCC5)(OC6CCC(CC6)C(=O)OC)F

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(C3=CC4=C(C=C3)N=CO4)C(=O)C(N5CCCC5)(OC6CCC(CC6)C(=O)OC)F

InChI

InChI=1S/C31H34FN3O5/c1-34-18-24(23-7-3-4-8-26(23)34)28(21-11-14-25-27(17-21)39-19-33-25)29(36)31(32,35-15-5-6-16-35)40-22-12-9-20(10-13-22)30(37)38-2/h3-4,7-8,11,14,17-20,22,28H,5-6,9-10,12-13,15-16H2,1-2H3