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

Systemtic Name: [(2S)-3-methyl-2-piperidin-1-yl-butyl] 3-butoxy-4-oxidanyl-benzoate Openeye Name: [(2S)-3-methyl-2-(1-piperidyl)butyl] 3-butoxy-4-hydroxy-benzoate CAS Name: 3-butoxy-4-hydroxybenzoic acid [(2S)-3-methyl-2-(1-piperidinyl)butyl] ester IUPAC Name: [(2S)-3-methyl-2-piperidin-1-ylbutyl] 3-butoxy-4-hydroxybenzoate Traditional Name: 3-butoxy-4-hydroxy-benzoic acid [(2S)-3-methyl-2-piperidino-butyl] ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4/c1-4-5-13-25-20-14-17(9-10-19(20)23)21(24)26-15-18(16(2)3)22-11-7-6-8-12-22/h9-10,14,16,18,23H,4-8,11-13,15H2,1-3H3/t18-/m1/s1