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

Systemtic Name: 2-(1-azanylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylcarbamoyl)benzoic acid Openeye Name: 2-(1-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylcarbamoyl)benzoic acid CAS Name: 2-(1-aminoethyl)-5-[oxo-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)methyl]benzoic acid IUPAC Name: 2-(1-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylcarbamoyl)benzoic acid Traditional Name: 2-(1-aminoethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-ylcarbamoyl)benzoic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)C(=O)O)N

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)C(=O)O)N

InChI

InChI=1S/C17H16N4O3/c1-9(18)11-3-2-10(8-13(11)17(23)24)16(22)21-14-5-7-20-15-12(14)4-6-19-15/h2-9H,18H2,1H3,(H,23,24)(H2,19,20,21,22)