1-[(3-chlorophenyl)methyl]indole-4-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]indole-4-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)methyl]indole-4-carboxylic acid CAS Name: 1-[(3-chlorophenyl)methyl]-4-indolecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]indole-4-carboxylic acid Traditional Name: 1-(3-chlorobenzyl)indole-4-carboxylic acid Formula: C16H12ClNO2 MolecularWeight: 285.72498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN2C=CC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN2C=CC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C16H12ClNO2/c17-12-4-1-3-11(9-12)10-18-8-7-13-14(16(19)20)5-2-6-15(13)18/h1-9H,10H2,(H,19,20)