4-[3-(1,3-benzoxazol-6-yl)-1-fluoranyl-3-naphthalen-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-naphthalen-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-naphthyl)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-(1-naphthalenyl)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-3-naphthalen-1-yl-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-1-fluoro-2-keto-3-(1-naphthyl)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C31H31FN2O5 MolecularWeight: 530.586643

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H31FN2O5/c32-31(34-16-3-4-17-34,39-23-13-10-21(11-14-23)30(36)37)29(35)28(22-12-15-26-27(18-22)38-19-33-26)25-9-5-7-20-6-1-2-8-24(20)25/h1-2,5-9,12,15,18-19,21,23,28H,3-4,10-11,13-14,16-17H2,(H,36,37)