methyl 1-[3-[4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[[3-(1-imidazolyl)propylamino]methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[(3-imidazol-1-ylpropylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C23H34N4O4 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCCN3C=CN=C3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCCN3C=CN=C3)O

InChI

InChI=1S/C23H34N4O4/c1-30-23(29)20-7-12-26(13-8-20)16-21(28)17-31-22-5-3-19(4-6-22)15-24-9-2-11-27-14-10-25-18-27/h3-6,10,14,18,20-21,24,28H,2,7-9,11-13,15-17H2,1H3