1-(3-cyanopropyl)indole-2-carboxylic acid

Systemtic Name: 1-(3-cyanopropyl)indole-2-carboxylic acid Openeye Name: 1-(3-cyanopropyl)indole-2-carboxylic acid CAS Name: 1-(3-cyanopropyl)-2-indolecarboxylic acid IUPAC Name: 1-(3-cyanopropyl)indole-2-carboxylic acid Traditional Name: 1-(3-cyanopropyl)indole-2-carboxylic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CCCC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CCCC#N)C(=O)O

InChI

InChI=1S/C13H12N2O2/c14-7-3-4-8-15-11-6-2-1-5-10(11)9-12(15)13(16)17/h1-2,5-6,9H,3-4,8H2,(H,16,17)