6-[2-(4-bromophenyl)-3-(4-bromophenyl)carbonyl-5-oxidanylidene-4-phenylazanyl-2H-pyrrol-1-yl]hexanoic acid

Systemtic Name: 6-[2-(4-bromophenyl)-3-(4-bromophenyl)carbonyl-5-oxidanylidene-4-phenylazanyl-2H-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[4-anilino-3-(4-bromobenzoyl)-2-(4-bromophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid CAS Name: 6-[4-anilino-2-(4-bromophenyl)-3-[(4-bromophenyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]hexanoic acid IUPAC Name: 6-[4-anilino-3-(4-bromobenzoyl)-2-(4-bromophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid Traditional Name: 6-[4-anilino-3-(4-bromobenzoyl)-2-(4-bromophenyl)-5-keto-3-pyrrolin-1-yl]hexanoic acid Formula: C29H26Br2N2O4 MolecularWeight: 626.33574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(N(C2=O)CCCCCC(=O)O)C3=CC=C(C=C3)Br)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(N(C2=O)CCCCCC(=O)O)C3=CC=C(C=C3)Br)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H26Br2N2O4/c30-21-14-10-19(11-15-21)27-25(28(36)20-12-16-22(31)17-13-20)26(32-23-7-3-1-4-8-23)29(37)33(27)18-6-2-5-9-24(34)35/h1,3-4,7-8,10-17,27,32H,2,5-6,9,18H2,(H,34,35)