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

Systemtic Name: 1-adamantylmethyl 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanoate Openeye Name: 1-adamantylmethyl 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetate CAS Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate Traditional Name: 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetic acid 1-adamantylmethyl ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C25H37NO4/c1-17(2)26-14-22(27)15-29-23-5-3-18(4-6-23)10-24(28)30-16-25-11-19-7-20(12-25)9-21(8-19)13-25/h3-6,17,19-22,26-27H,7-16H2,1-2H3