ethyl 1-[2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-cumylphenoxy)-2-hydroxy-propyl]isonipecotic acid ethyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)C(C)(C)C3=CC=CC=C3)O

InChI

InChI=1S/C26H35NO4/c1-4-30-25(29)20-14-16-27(17-15-20)18-23(28)19-31-24-12-10-22(11-13-24)26(2,3)21-8-6-5-7-9-21/h5-13,20,23,28H,4,14-19H2,1-3H3