3-[(2-chlorophenyl)-cyano-methyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[(2-chlorophenyl)-cyano-methyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[(2-chlorophenyl)-cyano-methyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[(2-chlorophenyl)-cyanomethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[(2-chlorophenyl)-cyanomethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[(2-chlorophenyl)-cyano-methyl]-1-methyl-indole-2-carboxylic acid Formula: C18H13ClN2O2 MolecularWeight: 324.76102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C#N)C3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H13ClN2O2/c1-21-15-9-5-3-7-12(15)16(17(21)18(22)23)13(10-20)11-6-2-4-8-14(11)19/h2-9,13H,1H3,(H,22,23)