tert-butyl N-[(3R)-6-(4-hydroxyphenyl)-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-6-(4-hydroxyphenyl)-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-6-(4-hydroxyphenyl)-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3R)-6-(4-hydroxyphenyl)-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]carbamate Traditional Name: N-[(3R)-6-(4-hydroxyphenyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CNC1=O)C2=CC=C(C=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CCC(CNC1=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-14-9-6-12(10-18-15(14)21)11-4-7-13(20)8-5-11/h4-5,7-8,12,14,20H,6,9-10H2,1-3H3,(H,18,21)(H,19,22)/t12?,14-/m1/s1