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

Systemtic Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate hydrochloride Openeye Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate hydrochloride CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 3-(1-azepanyl)propyl ester hydrochloride IUPAC Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride Traditional Name: 2,2-bis(4-bromophenyl)-2-hydroxy-acetic acid 3-(azepan-1-yl)propyl ester hydrochloride Formula: C23H28Br2ClNO3 MolecularWeight: 561.73432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27Br2NO3.ClH/c24-20-10-6-18(7-11-20)23(28,19-8-12-21(25)13-9-19)22(27)29-17-5-16-26-14-3-1-2-4-15-26;/h6-13,28H,1-5,14-17H2;1H