tert-butyl 4-[3-(3-hydroxyphenyl)-3-oxidanyl-3-phenyl-propyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(3-hydroxyphenyl)-3-oxidanyl-3-phenyl-propyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenyl-propyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenylpropyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenylpropyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-hydroxy-3-(3-hydroxyphenyl)-3-phenyl-propyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CCC(C2=CC=CC=C2)(C3=CC(=CC=C3)O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CCC(C2=CC=CC=C2)(C3=CC(=CC=C3)O)O

InChI

InChI=1S/C25H34N2O4/c1-24(2,3)31-23(29)27-15-8-14-26(17-18-27)16-13-25(30,20-9-5-4-6-10-20)21-11-7-12-22(28)19-21/h4-7,9-12,19,28,30H,8,13-18H2,1-3H3