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

Systemtic Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoate Openeye Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxy-acetate CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid 3-(1-azepanyl)propyl ester IUPAC Name: 3-(azepan-1-yl)propyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate Traditional Name: 2,2-bis(4-bromophenyl)-2-hydroxy-acetic acid 3-(azepan-1-yl)propyl ester Formula: C23H27Br2NO3 MolecularWeight: 525.27338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27Br2NO3/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