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

Systemtic Name: methyl 3-[(2S)-2-oxidanyl-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propoxy]benzoate Openeye Name: methyl 3-[(2S)-3-[(1-benzyl-4-piperidyl)amino]-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2S)-2-hydroxy-3-[[1-(phenylmethyl)-4-piperidinyl]amino]propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-3-[(1-benzylpiperidin-4-yl)amino]-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2S)-3-[(1-benzyl-4-piperidyl)amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC[C@H](CNC2CCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O4/c1-28-23(27)19-8-5-9-22(14-19)29-17-21(26)15-24-20-10-12-25(13-11-20)16-18-6-3-2-4-7-18/h2-9,14,20-21,24,26H,10-13,15-17H2,1H3/t21-/m0/s1