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

Systemtic Name: [(2S)-3-methyl-2-piperidin-1-yl-pentyl] 2-ethoxy-4-oxidanyl-benzoate Openeye Name: [(2S)-3-methyl-2-(1-piperidyl)pentyl] 2-ethoxy-4-hydroxy-benzoate CAS Name: 2-ethoxy-4-hydroxybenzoic acid [(2S)-3-methyl-2-(1-piperidinyl)pentyl] ester IUPAC Name: [(2S)-3-methyl-2-piperidin-1-ylpentyl] 2-ethoxy-4-hydroxybenzoate Traditional Name: 2-ethoxy-4-hydroxy-benzoic acid [(2S)-3-methyl-2-piperidino-pentyl] ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(COC(=O)C1=C(C=C(C=C1)O)OCC)N2CCCCC2

Isomeric SMILES

CCC(C)[C@@H](COC(=O)C1=C(C=C(C=C1)O)OCC)N2CCCCC2

InChI

InChI=1S/C20H31NO4/c1-4-15(3)18(21-11-7-6-8-12-21)14-25-20(23)17-10-9-16(22)13-19(17)24-5-2/h9-10,13,15,18,22H,4-8,11-12,14H2,1-3H3/t15?,18-/m1/s1