3-[3-(butanoylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid

Systemtic Name: 3-[3-(butanoylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid Openeye Name: 3-[3-(butanoylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid CAS Name: 3-[3-(1-oxobutylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid IUPAC Name: 3-[3-(butanoylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid Traditional Name: 3-(3-butyramido-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoic acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CNC2=NC=C(C=C12)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CNC2=NC=C(C=C12)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3/c1-2-4-16(22)21-15-10-20-17-14(15)8-13(9-19-17)11-5-3-6-12(7-11)18(23)24/h3,5-10H,2,4H2,1H3,(H,19,20)(H,21,22)(H,23,24)