2-(1-adamantyl)ethyl 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoate

Systemtic Name: 2-(1-adamantyl)ethyl 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoate Openeye Name: 2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetate CAS Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate Traditional Name: 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetic acid 2-(1-adamantyl)ethyl ester Formula: C26H39NO4 MolecularWeight: 429.59216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C26H39NO4/c1-18(2)27-16-23(28)17-31-24-5-3-19(4-6-24)12-25(29)30-8-7-26-13-20-9-21(14-26)11-22(10-20)15-26/h3-6,18,20-23,27-28H,7-17H2,1-2H3