[2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] heptanoate

Systemtic Name: [2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] heptanoate Openeye Name: [4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl] heptanoate CAS Name: heptanoic acid [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] ester IUPAC Name: [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] heptanoate Traditional Name: enanthic acid [4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl] ester Formula: C22H37NO4 MolecularWeight: 379.53348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=C(C(=C(C=C1C)OCC(CNC(C)C)O)C)C

Isomeric SMILES

CCCCCCC(=O)OC1=C(C(=C(C=C1C)OCC(CNC(C)C)O)C)C

InChI

InChI=1S/C22H37NO4/c1-7-8-9-10-11-21(25)27-22-16(4)12-20(17(5)18(22)6)26-14-19(24)13-23-15(2)3/h12,15,19,23-24H,7-11,13-14H2,1-6H3