[(2S)-2-(diethylamino)-3-methyl-pentyl] 4-oxidanyl-2-propoxy-benzoate

Systemtic Name: [(2S)-2-(diethylamino)-3-methyl-pentyl] 4-oxidanyl-2-propoxy-benzoate Openeye Name: [(2S)-2-(diethylamino)-3-methyl-pentyl] 4-hydroxy-2-propoxy-benzoate CAS Name: 4-hydroxy-2-propoxybenzoic acid [(2S)-2-(diethylamino)-3-methylpentyl] ester IUPAC Name: [(2S)-2-(diethylamino)-3-methylpentyl] 4-hydroxy-2-propoxybenzoate Traditional Name: 4-hydroxy-2-propoxy-benzoic acid [(2S)-2-(diethylamino)-3-methyl-pentyl] ester Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)O)C(=O)OCC(C(C)CC)N(CC)CC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)O)C(=O)OC[C@H](C(C)CC)N(CC)CC

InChI

InChI=1S/C20H33NO4/c1-6-12-24-19-13-16(22)10-11-17(19)20(23)25-14-18(15(5)7-2)21(8-3)9-4/h10-11,13,15,18,22H,6-9,12,14H2,1-5H3/t15?,18-/m1/s1