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

Systemtic Name: [3,6-dimethyl-2-octyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] ethanoate Openeye Name: [4-[2-hydroxy-3-(isopropylamino)propoxy]-3,6-dimethyl-2-octyl-phenyl] acetate CAS Name: acetic acid [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,6-dimethyl-2-octylphenyl] ester IUPAC Name: [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,6-dimethyl-2-octylphenyl] acetate Traditional Name: acetic acid [4-[2-hydroxy-3-(isopropylamino)propoxy]-3,6-dimethyl-2-octyl-phenyl] ester Formula: C24H41NO4 MolecularWeight: 407.58664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC(=C1C)OCC(CNC(C)C)O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC1=C(C(=CC(=C1C)OCC(CNC(C)C)O)C)OC(=O)C

InChI

InChI=1S/C24H41NO4/c1-7-8-9-10-11-12-13-22-19(5)23(14-18(4)24(22)29-20(6)26)28-16-21(27)15-25-17(2)3/h14,17,21,25,27H,7-13,15-16H2,1-6H3