[(2S)-3-methyl-2-piperidin-1-yl-butyl] 4-oxidanyl-2-propoxy-benzoate

Systemtic Name: [(2S)-3-methyl-2-piperidin-1-yl-butyl] 4-oxidanyl-2-propoxy-benzoate Openeye Name: [(2S)-3-methyl-2-(1-piperidyl)butyl] 4-hydroxy-2-propoxy-benzoate CAS Name: 4-hydroxy-2-propoxybenzoic acid [(2S)-3-methyl-2-(1-piperidinyl)butyl] ester IUPAC Name: [(2S)-3-methyl-2-piperidin-1-ylbutyl] 4-hydroxy-2-propoxybenzoate Traditional Name: 4-hydroxy-2-propoxy-benzoic acid [(2S)-3-methyl-2-piperidino-butyl] ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)O)C(=O)OCC(C(C)C)N2CCCCC2

Isomeric SMILES

CCCOC1=C(C=CC(=C1)O)C(=O)OC[C@H](C(C)C)N2CCCCC2

InChI

InChI=1S/C20H31NO4/c1-4-12-24-19-13-16(22)8-9-17(19)20(23)25-14-18(15(2)3)21-10-6-5-7-11-21/h8-9,13,15,18,22H,4-7,10-12,14H2,1-3H3/t18-/m1/s1