3-(1,3-benzodioxol-5-yl)-5-chloranyl-1-phenyl-indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-chloranyl-1-phenyl-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-chloro-1-phenyl-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-chloro-1-phenyl-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-chloro-1-phenylindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-chloro-1-phenyl-indole-2-carboxylic acid Formula: C22H14ClNO4 MolecularWeight: 391.80386

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N(C4=C3C=C(C=C4)Cl)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N(C4=C3C=C(C=C4)Cl)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C22H14ClNO4/c23-14-7-8-17-16(11-14)20(13-6-9-18-19(10-13)28-12-27-18)21(22(25)26)24(17)15-4-2-1-3-5-15/h1-11H,12H2,(H,25,26)