tert-butyl 4-[4-(3-ethoxyphenyl)-3-methoxy-phenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-ethoxyphenyl)-3-methoxy-phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-ethoxyphenyl)-3-methoxy-phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[4-(3-ethoxyphenyl)-3-methoxyphenyl]-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-ethoxyphenyl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-hydroxy-4-(3-methoxy-4-m-phenetyl-phenyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3(CCN(CC3)C(=O)OC(C)(C)C)O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3(CCN(CC3)C(=O)OC(C)(C)C)O)OC

InChI

InChI=1S/C25H33NO5/c1-6-30-20-9-7-8-18(16-20)21-11-10-19(17-22(21)29-5)25(28)12-14-26(15-13-25)23(27)31-24(2,3)4/h7-11,16-17,28H,6,12-15H2,1-5H3