methyl 4-[[[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN(C)CC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN(C)CC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C21H27NO4/c1-15-6-5-7-16(2)20(15)26-14-19(23)13-22(3)12-17-8-10-18(11-9-17)21(24)25-4/h5-11,19,23H,12-14H2,1-4H3