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

Systemtic Name: [(2S)-2-(dimethylamino)-3-methyl-pentyl] 4-oxidanyl-3-propoxy-benzoate Openeye Name: [(2S)-2-(dimethylamino)-3-methyl-pentyl] 4-hydroxy-3-propoxy-benzoate CAS Name: 4-hydroxy-3-propoxybenzoic acid [(2S)-2-(dimethylamino)-3-methylpentyl] ester IUPAC Name: [(2S)-2-(dimethylamino)-3-methylpentyl] 4-hydroxy-3-propoxybenzoate Traditional Name: 4-hydroxy-3-propoxy-benzoic acid [(2S)-2-(dimethylamino)-3-methyl-pentyl] ester Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4/c1-6-10-22-17-11-14(8-9-16(17)20)18(21)23-12-15(19(4)5)13(3)7-2/h8-9,11,13,15,20H,6-7,10,12H2,1-5H3/t13?,15-/m1/s1