1-[(2-chlorophenyl)methyl]-3-cyano-2-propyl-indole-6-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-cyano-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-cyano-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-cyano-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-cyano-2-propylindole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-cyano-2-propyl-indole-6-carboxylic acid Formula: C20H17ClN2O2 MolecularWeight: 352.81418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C20H17ClN2O2/c1-2-5-18-16(11-22)15-9-8-13(20(24)25)10-19(15)23(18)12-14-6-3-4-7-17(14)21/h3-4,6-10H,2,5,12H2,1H3,(H,24,25)