(phenylmethyl) 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,5-ditert-butyl-4-hydroxybenzoyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H38N2O4/c1-27(2,3)22-17-21(18-23(24(22)31)28(4,5)6)25(32)29-13-10-14-30(16-15-29)26(33)34-19-20-11-8-7-9-12-20/h7-9,11-12,17-18,31H,10,13-16,19H2,1-6H3