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

Systemtic Name: [2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] nonanoate Openeye Name: [4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl] nonanoate CAS Name: nonanoic 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] nonanoate Traditional Name: pelargonic acid [4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl] ester Formula: C24H41NO4 MolecularWeight: 407.58664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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