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

Systemtic Name: [(2S)-3-methyl-2-piperidin-1-yl-pentyl] 4-oxidanyl-2-propoxy-benzoate Openeye Name: [(2S)-3-methyl-2-(1-piperidyl)pentyl] 4-hydroxy-2-propoxy-benzoate CAS Name: 4-hydroxy-2-propoxybenzoic acid [(2S)-3-methyl-2-(1-piperidinyl)pentyl] ester IUPAC Name: [(2S)-3-methyl-2-piperidin-1-ylpentyl] 4-hydroxy-2-propoxybenzoate Traditional Name: 4-hydroxy-2-propoxy-benzoic acid [(2S)-3-methyl-2-piperidino-pentyl] ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4/c1-4-13-25-20-14-17(23)9-10-18(20)21(24)26-15-19(16(3)5-2)22-11-7-6-8-12-22/h9-10,14,16,19,23H,4-8,11-13,15H2,1-3H3/t16?,19-/m1/s1