1-[(2-chlorophenyl)methyl]-2-propyl-indole-3,6-dicarboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-propyl-indole-3,6-dicarboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-propyl-indole-3,6-dicarboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-2-propylindole-3,6-dicarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-propylindole-3,6-dicarboxylic acid Traditional Name: 1-(2-chlorobenzyl)-2-propyl-indole-3,6-dicarboxylic acid Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H18ClNO4/c1-2-5-16-18(20(25)26)14-9-8-12(19(23)24)10-17(14)22(16)11-13-6-3-4-7-15(13)21/h3-4,6-10H,2,5,11H2,1H3,(H,23,24)(H,25,26)