[(2S)-3-methyl-2-piperidin-1-yl-pentyl] 2-butoxy-4-oxidanyl-benzoate

Systemtic Name: [(2S)-3-methyl-2-piperidin-1-yl-pentyl] 2-butoxy-4-oxidanyl-benzoate Openeye Name: [(2S)-3-methyl-2-(1-piperidyl)pentyl] 2-butoxy-4-hydroxy-benzoate CAS Name: 2-butoxy-4-hydroxybenzoic acid [(2S)-3-methyl-2-(1-piperidinyl)pentyl] ester IUPAC Name: [(2S)-3-methyl-2-piperidin-1-ylpentyl] 2-butoxy-4-hydroxybenzoate Traditional Name: 2-butoxy-4-hydroxy-benzoic acid [(2S)-3-methyl-2-piperidino-pentyl] ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)O)C(=O)OCC(C(C)CC)N2CCCCC2

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)O)C(=O)OC[C@H](C(C)CC)N2CCCCC2

InChI

InChI=1S/C22H35NO4/c1-4-6-14-26-21-15-18(24)10-11-19(21)22(25)27-16-20(17(3)5-2)23-12-8-7-9-13-23/h10-11,15,17,20,24H,4-9,12-14,16H2,1-3H3/t17?,20-/m1/s1