[(2S)-2-(dimethylamino)-3-methyl-pentyl] 3-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [(2S)-2-(dimethylamino)-3-methyl-pentyl] 3-ethoxy-4-oxidanyl-benzoate Openeye Name: [(2S)-2-(dimethylamino)-3-methyl-pentyl] 3-ethoxy-4-hydroxy-benzoate CAS Name: 3-ethoxy-4-hydroxybenzoic acid [(2S)-2-(dimethylamino)-3-methylpentyl] ester IUPAC Name: [(2S)-2-(dimethylamino)-3-methylpentyl] 3-ethoxy-4-hydroxybenzoate Traditional Name: 3-ethoxy-4-hydroxy-benzoic acid [(2S)-2-(dimethylamino)-3-methyl-pentyl] ester Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(COC(=O)C1=CC(=C(C=C1)O)OCC)N(C)C

Isomeric SMILES

CCC(C)[C@@H](COC(=O)C1=CC(=C(C=C1)O)OCC)N(C)C

InChI

InChI=1S/C17H27NO4/c1-6-12(3)14(18(4)5)11-22-17(20)13-8-9-15(19)16(10-13)21-7-2/h8-10,12,14,19H,6-7,11H2,1-5H3/t12?,14-/m1/s1