methyl 1-[(3R)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3R)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3R)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(3R)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(3R)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanoyl]isonipecotic acid methyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CC(C2=CC(=CC=C2)O)C3=CC=CC=C3O

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C[C@H](C2=CC(=CC=C2)O)C3=CC=CC=C3O

InChI

InChI=1S/C22H25NO5/c1-28-22(27)15-9-11-23(12-10-15)21(26)14-19(16-5-4-6-17(24)13-16)18-7-2-3-8-20(18)25/h2-8,13,15,19,24-25H,9-12,14H2,1H3/t19-/m1/s1