4-chloranyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-1-carboxylic acid

Systemtic Name: 4-chloranyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-1-carboxylic acid Openeye Name: 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-1-carboxylic acid CAS Name: 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-indolecarboxylic acid IUPAC Name: 4-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole-1-carboxylic acid Traditional Name: 4-chloro-3-(2-imidazolin-2-ylmethyl)indole-1-carboxylic acid Formula: C13H12ClN3O2 MolecularWeight: 277.70628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CC2=CN(C3=C2C(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1CN=C(N1)CC2=CN(C3=C2C(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C13H12ClN3O2/c14-9-2-1-3-10-12(9)8(7-17(10)13(18)19)6-11-15-4-5-16-11/h1-3,7H,4-6H2,(H,15,16)(H,18,19)