methyl 1-[(2S)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-2-hydroxy-propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-2-hydroxypropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-2-hydroxy-propyl]isonipecotic acid methyl ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CN3CCC4=CC=CC=C4C3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CN3CCC4=CC=CC=C4C3)O

InChI

InChI=1S/C26H34N2O4/c1-31-26(30)22-10-12-27(13-11-22)18-24(29)19-32-25-8-4-5-20(15-25)16-28-14-9-21-6-2-3-7-23(21)17-28/h2-8,15,22,24,29H,9-14,16-19H2,1H3/t24-/m0/s1