1-[3-bromanyl-4-[4-(4-chloranylphenoxy)phenyl]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-bromanyl-4-[4-(4-chloranylphenoxy)phenyl]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-bromo-4-[4-(4-chlorophenoxy)phenyl]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-bromo-4-[4-(4-chlorophenoxy)phenyl]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-bromo-4-[4-(4-chlorophenoxy)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-bromo-4-[4-(4-chlorophenoxy)phenyl]-4-keto-butanoyl]proline Formula: C21H19BrClNO5 MolecularWeight: 480.73626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC(C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)Br)C(=O)O

InChI

InChI=1S/C21H19BrClNO5/c22-17(12-19(25)24-11-1-2-18(24)21(27)28)20(26)13-3-7-15(8-4-13)29-16-9-5-14(23)6-10-16/h3-10,17-18H,1-2,11-12H2,(H,27,28)