1-phenethylpyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid

Systemtic Name: 1-phenethylpyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid Openeye Name: 1-phenethylpyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid CAS Name: 1-phenethylpyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid IUPAC Name: 1-phenethylpyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid Traditional Name: 1-phenethylpyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C3=CC(=CN=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C3=CC(=CN=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C17H14N2O4/c20-16(21)12-8-13-14(17(22)23)10-19(15(13)18-9-12)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,20,21)(H,22,23)