1-[(3,4-dichlorophenyl)methyl]-4-pyridin-2-yl-indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-pyridin-2-yl-indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-pyridyl)indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2-pyridinyl)-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-pyridin-2-ylindole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-4-(2-pyridyl)indole-2-carboxylic acid Formula: C21H14Cl2N2O2 MolecularWeight: 397.25406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C3C=C(N(C3=CC=C2)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=C3C=C(N(C3=CC=C2)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H14Cl2N2O2/c22-16-8-7-13(10-17(16)23)12-25-19-6-3-4-14(18-5-1-2-9-24-18)15(19)11-20(25)21(26)27/h1-11H,12H2,(H,26,27)