pyrrol-1-ylmethyl 2,4-bis(4-bromophenyl)-3,3-dimethyl-butanoate

Systemtic Name: pyrrol-1-ylmethyl 2,4-bis(4-bromophenyl)-3,3-dimethyl-butanoate Openeye Name: pyrrol-1-ylmethyl 2,4-bis(4-bromophenyl)-3,3-dimethyl-butanoate CAS Name: 2,4-bis(4-bromophenyl)-3,3-dimethylbutanoic acid 1-pyrrolylmethyl ester IUPAC Name: pyrrol-1-ylmethyl 2,4-bis(4-bromophenyl)-3,3-dimethylbutanoate Traditional Name: 2,4-bis(4-bromophenyl)-3,3-dimethyl-butyric acid pyrrol-1-ylmethyl ester Formula: C23H23Br2NO2 MolecularWeight: 505.24222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)Br)C(C2=CC=C(C=C2)Br)C(=O)OCN3C=CC=C3

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)Br)C(C2=CC=C(C=C2)Br)C(=O)OCN3C=CC=C3

InChI

InChI=1S/C23H23Br2NO2/c1-23(2,15-17-5-9-19(24)10-6-17)21(18-7-11-20(25)12-8-18)22(27)28-16-26-13-3-4-14-26/h3-14,21H,15-16H2,1-2H3