methyl 2-(dimethylamino)-3-[4-(2,4,4-trimethyl-5-oxidanyl-hexoxy)phenyl]propanoate

Systemtic Name: methyl 2-(dimethylamino)-3-[4-(2,4,4-trimethyl-5-oxidanyl-hexoxy)phenyl]propanoate Openeye Name: methyl 2-(dimethylamino)-3-[4-(5-hydroxy-2,4,4-trimethyl-hexoxy)phenyl]propanoate CAS Name: 2-(dimethylamino)-3-[4-(5-hydroxy-2,4,4-trimethylhexoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(dimethylamino)-3-[4-(5-hydroxy-2,4,4-trimethylhexoxy)phenyl]propanoate Traditional Name: 2-(dimethylamino)-3-[4-(5-hydroxy-2,4,4-trimethyl-hexoxy)phenyl]propionic acid methyl ester Formula: C21H35NO4 MolecularWeight: 365.5069

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C(C)O)COC1=CC=C(C=C1)CC(C(=O)OC)N(C)C

Isomeric SMILES

CC(CC(C)(C)C(C)O)COC1=CC=C(C=C1)CC(C(=O)OC)N(C)C

InChI

InChI=1S/C21H35NO4/c1-15(13-21(3,4)16(2)23)14-26-18-10-8-17(9-11-18)12-19(22(5)6)20(24)25-7/h8-11,15-16,19,23H,12-14H2,1-7H3