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

Systemtic Name: [(2S)-2-(dimethylamino)-3-methyl-pentyl] 3-butoxy-4-oxidanyl-benzoate Openeye Name: [(2S)-2-(dimethylamino)-3-methyl-pentyl] 3-butoxy-4-hydroxy-benzoate CAS Name: 3-butoxy-4-hydroxybenzoic acid [(2S)-2-(dimethylamino)-3-methylpentyl] ester IUPAC Name: [(2S)-2-(dimethylamino)-3-methylpentyl] 3-butoxy-4-hydroxybenzoate Traditional Name: 3-butoxy-4-hydroxy-benzoic acid [(2S)-2-(dimethylamino)-3-methyl-pentyl] ester Formula: C19H31NO4 MolecularWeight: 337.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCC(C(C)CC)N(C)C)O

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OC[C@H](C(C)CC)N(C)C)O

InChI

InChI=1S/C19H31NO4/c1-6-8-11-23-18-12-15(9-10-17(18)21)19(22)24-13-16(20(4)5)14(3)7-2/h9-10,12,14,16,21H,6-8,11,13H2,1-5H3/t14?,16-/m1/s1