5-(4-bromophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 5-(4-bromophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylic acid Openeye Name: 5-(4-bromophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 5-(4-bromophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 5-(4-bromophenyl)-3-(4-ethoxycarbonylphenyl)pyrrolidine-2,4-dicarboxylic acid Traditional Name: 5-(4-bromophenyl)-3-(4-carbethoxyphenyl)pyrrolidine-2,4-dicarboxylic acid Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2C(C(NC2C(=O)O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2C(C(NC2C(=O)O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H20BrNO6/c1-2-29-21(28)13-5-3-11(4-6-13)15-16(19(24)25)17(23-18(15)20(26)27)12-7-9-14(22)10-8-12/h3-10,15-18,23H,2H2,1H3,(H,24,25)(H,26,27)