methyl 1-[(2S)-3-[4-[(3-cyclopentylpropylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-[4-[(3-cyclopentylpropylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-3-[4-[(3-cyclopentylpropylamino)methyl]phenoxy]-2-hydroxy-propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-[4-[(3-cyclopentylpropylamino)methyl]phenoxy]-2-hydroxypropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-[4-[(3-cyclopentylpropylamino)methyl]phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-3-[4-[(3-cyclopentylpropylamino)methyl]phenoxy]-2-hydroxy-propyl]isonipecotic acid methyl ester Formula: C25H40N2O4 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCCC3CCCC3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)C[C@@H](COC2=CC=C(C=C2)CNCCCC3CCCC3)O

InChI

InChI=1S/C25H40N2O4/c1-30-25(29)22-12-15-27(16-13-22)18-23(28)19-31-24-10-8-21(9-11-24)17-26-14-4-7-20-5-2-3-6-20/h8-11,20,22-23,26,28H,2-7,12-19H2,1H3/t23-/m0/s1