tert-butyl 4-(3-hydroxyphenyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-hydroxyphenyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-hydroxyphenyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-hydroxyphenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-hydroxyphenyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-hydroxyphenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-9-5-8-17(10-11-18)13-6-4-7-14(19)12-13/h4,6-7,12,19H,5,8-11H2,1-3H3