3-[(2-carboxy-1H-indol-3-yl)-(2-chloranyl-6-fluoranyl-phenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-chloranyl-6-fluoranyl-phenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-chloro-6-fluoro-phenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-chloro-6-fluorophenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-chloro-6-fluorophenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1H-indol-3-yl)-(2-chloro-6-fluoro-phenyl)methyl]-1H-indole-2-carboxylic acid Formula: C25H16ClFN2O4 MolecularWeight: 462.856943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C(C3=C(C=CC=C3Cl)F)C4=C(NC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C(C3=C(C=CC=C3Cl)F)C4=C(NC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H16ClFN2O4/c26-14-8-5-9-15(27)20(14)21(18-12-6-1-3-10-16(12)28-22(18)24(30)31)19-13-7-2-4-11-17(13)29-23(19)25(32)33/h1-11,21,28-29H,(H,30,31)(H,32,33)