4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl 2-cyclopentyl-2-(4-methoxyphenyl)-2-oxidanyl-ethanoate

Systemtic Name: 4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl 2-cyclopentyl-2-(4-methoxyphenyl)-2-oxidanyl-ethanoate Openeye Name: 4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl 2-cyclopentyl-2-hydroxy-2-(4-methoxyphenyl)acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-(4-methoxyphenyl)acetic acid 4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl ester IUPAC Name: 4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl 2-cyclopentyl-2-hydroxy-2-(4-methoxyphenyl)acetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-(4-methoxyphenyl)acetic acid 4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2CCCC2)(C(=O)OCC#CCN3CC4CC4C3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2CCCC2)(C(=O)OCC#CCN3CC4CC4C3)O

InChI

InChI=1S/C23H29NO4/c1-27-21-10-8-20(9-11-21)23(26,19-6-2-3-7-19)22(25)28-13-5-4-12-24-15-17-14-18(17)16-24/h8-11,17-19,26H,2-3,6-7,12-16H2,1H3