tert-butyl 3-[3-oxidanylidene-3-(2-oxidanyl-6-phenylmethoxy-phenyl)propanoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-oxidanylidene-3-(2-oxidanyl-6-phenylmethoxy-phenyl)propanoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[3-(2-benzyloxy-6-hydroxy-phenyl)-3-oxo-propanoyl]piperidine-1-carboxylate CAS Name: 3-[3-(2-hydroxy-6-phenylmethoxyphenyl)-1,3-dioxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(2-hydroxy-6-phenylmethoxyphenyl)-3-oxopropanoyl]piperidine-1-carboxylate Traditional Name: 3-[3-(2-benzoxy-6-hydroxy-phenyl)-3-keto-propanoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CC(=O)C2=C(C=CC=C2OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CC(=O)C2=C(C=CC=C2OCC3=CC=CC=C3)O

InChI

InChI=1S/C26H31NO6/c1-26(2,3)33-25(31)27-14-8-11-19(16-27)21(29)15-22(30)24-20(28)12-7-13-23(24)32-17-18-9-5-4-6-10-18/h4-7,9-10,12-13,19,28H,8,11,14-17H2,1-3H3