2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride

Systemtic Name: 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride Openeye Name: 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 2-(1-azepanyl)ethyl ester hydrochloride IUPAC Name: 2-(azepan-1-yl)ethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride Traditional Name: 2,2-bis(4-bromophenyl)-2-hydroxy-acetic acid 2-(azepan-1-yl)ethyl ester hydrochloride Formula: C22H26Br2ClNO3 MolecularWeight: 547.70774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl

Isomeric SMILES

C1CCCN(CC1)CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl

InChI

InChI=1S/C22H25Br2NO3.ClH/c23-19-9-5-17(6-10-19)22(27,18-7-11-20(24)12-8-18)21(26)28-16-15-25-13-3-1-2-4-14-25;/h5-12,27H,1-4,13-16H2;1H