[2-butyl-3,6-dimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] ethanoate

Systemtic Name: [2-butyl-3,6-dimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] ethanoate Openeye Name: [2-butyl-4-[2-hydroxy-3-(isopropylamino)propoxy]-3,6-dimethyl-phenyl] acetate CAS Name: acetic acid [2-butyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,6-dimethylphenyl] ester IUPAC Name: [2-butyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,6-dimethylphenyl] acetate Traditional Name: acetic acid [2-butyl-4-[2-hydroxy-3-(isopropylamino)propoxy]-3,6-dimethyl-phenyl] ester Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1C)OCC(CNC(C)C)O)C)OC(=O)C

Isomeric SMILES

CCCCC1=C(C(=CC(=C1C)OCC(CNC(C)C)O)C)OC(=O)C

InChI

InChI=1S/C20H33NO4/c1-7-8-9-18-15(5)19(10-14(4)20(18)25-16(6)22)24-12-17(23)11-21-13(2)3/h10,13,17,21,23H,7-9,11-12H2,1-6H3