3-[4-chloranyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-phenyl-benzoic acid

Systemtic Name: 3-[4-chloranyl-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-phenyl-benzoic acid Openeye Name: 3-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-phenyl-benzoic acid CAS Name: 3-[4-chloro-3-[oxo-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)methyl]phenyl]-4-phenylbenzoic acid IUPAC Name: 3-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-phenylbenzoic acid Traditional Name: 3-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-phenyl-benzoic acid Formula: C27H18ClN3O3 MolecularWeight: 467.90312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC(=C(C=C3)Cl)C(=O)NC4=CN=C5C(=C4)C=CN5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC(=C(C=C3)Cl)C(=O)NC4=CN=C5C(=C4)C=CN5

InChI

InChI=1S/C27H18ClN3O3/c28-24-9-7-17(13-23(24)26(32)31-20-12-18-10-11-29-25(18)30-15-20)22-14-19(27(33)34)6-8-21(22)16-4-2-1-3-5-16/h1-15H,(H,29,30)(H,31,32)(H,33,34)