3-azabicyclo[2.2.1]heptan-7-yl 2-oxidanyl-2-[2-(phenylmethyl)phenyl]-2-thiophen-2-yl-ethanoate

Systemtic Name: 3-azabicyclo[2.2.1]heptan-7-yl 2-oxidanyl-2-[2-(phenylmethyl)phenyl]-2-thiophen-2-yl-ethanoate Openeye Name: 3-azabicyclo[2.2.1]heptan-7-yl 2-(2-benzylphenyl)-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-hydroxy-2-[2-(phenylmethyl)phenyl]-2-thiophen-2-ylacetic acid 3-azabicyclo[2.2.1]heptan-7-yl ester IUPAC Name: 3-azabicyclo[2.2.1]heptan-7-yl 2-(2-benzylphenyl)-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-(2-benzylphenyl)-2-hydroxy-2-(2-thienyl)acetic acid 3-azabicyclo[2.2.1]heptan-7-yl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C1CN2)OC(=O)C(C3=CC=CC=C3CC4=CC=CC=C4)(C5=CC=CS5)O

Isomeric SMILES

C1CC2C(C1CN2)OC(=O)C(C3=CC=CC=C3CC4=CC=CC=C4)(C5=CC=CS5)O

InChI

InChI=1S/C25H25NO3S/c27-24(29-23-19-12-13-21(23)26-16-19)25(28,22-11-6-14-30-22)20-10-5-4-9-18(20)15-17-7-2-1-3-8-17/h1-11,14,19,21,23,26,28H,12-13,15-16H2