butyl 4-(4-chlorophenyl)-4-oxidanyl-azepane-1-carboxylate

Systemtic Name: butyl 4-(4-chlorophenyl)-4-oxidanyl-azepane-1-carboxylate Openeye Name: butyl 4-(4-chlorophenyl)-4-hydroxy-azepane-1-carboxylate CAS Name: 4-(4-chlorophenyl)-4-hydroxy-1-azepanecarboxylic acid butyl ester IUPAC Name: butyl 4-(4-chlorophenyl)-4-hydroxyazepane-1-carboxylate Traditional Name: 4-(4-chlorophenyl)-4-hydroxy-azepane-1-carboxylic acid butyl ester Formula: C17H24ClNO3 MolecularWeight: 325.83036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCCC(CC1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCCCOC(=O)N1CCCC(CC1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C17H24ClNO3/c1-2-3-13-22-16(20)19-11-4-9-17(21,10-12-19)14-5-7-15(18)8-6-14/h5-8,21H,2-4,9-13H2,1H3