1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone

Systemtic Name: 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[2-(3-methoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-[2-(3-methoxyphenyl)pyrrolidino]ethanone Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2C(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C23H31NO3/c1-27-19-5-2-4-18(9-19)20-6-3-7-24(20)21(25)14-22-10-16-8-17(11-22)13-23(26,12-16)15-22/h2,4-5,9,16-17,20,26H,3,6-8,10-15H2,1H3