3-[5-(4-chlorophenyl)pyridin-3-yl]-1-(2-cyanoethyl)indole-4-carboxylic acid

Systemtic Name: 3-[5-(4-chlorophenyl)pyridin-3-yl]-1-(2-cyanoethyl)indole-4-carboxylic acid Openeye Name: 3-[5-(4-chlorophenyl)-3-pyridyl]-1-(2-cyanoethyl)indole-4-carboxylic acid CAS Name: 3-[5-(4-chlorophenyl)-3-pyridinyl]-1-(2-cyanoethyl)-4-indolecarboxylic acid IUPAC Name: 3-[5-(4-chlorophenyl)pyridin-3-yl]-1-(2-cyanoethyl)indole-4-carboxylic acid Traditional Name: 3-[5-(4-chlorophenyl)-3-pyridyl]-1-(2-cyanoethyl)indole-4-carboxylic acid Formula: C23H16ClN3O2 MolecularWeight: 401.84504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N(C=C2C3=CN=CC(=C3)C4=CC=C(C=C4)Cl)CCC#N)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)N(C=C2C3=CN=CC(=C3)C4=CC=C(C=C4)Cl)CCC#N)C(=O)O

InChI

InChI=1S/C23H16ClN3O2/c24-18-7-5-15(6-8-18)16-11-17(13-26-12-16)20-14-27(10-2-9-25)21-4-1-3-19(22(20)21)23(28)29/h1,3-8,11-14H,2,10H2,(H,28,29)