3-bromanyl-1-ethyl-4-phenylmethoxy-indole-6-carboxylic acid

Systemtic Name: 3-bromanyl-1-ethyl-4-phenylmethoxy-indole-6-carboxylic acid Openeye Name: 4-benzyloxy-3-bromo-1-ethyl-indole-6-carboxylic acid CAS Name: 3-bromo-1-ethyl-4-phenylmethoxy-6-indolecarboxylic acid IUPAC Name: 3-bromo-1-ethyl-4-phenylmethoxyindole-6-carboxylic acid Traditional Name: 4-benzoxy-3-bromo-1-ethyl-indole-6-carboxylic acid Formula: C18H16BrNO3 MolecularWeight: 374.22854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2OCC3=CC=CC=C3)C(=O)O)Br

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2OCC3=CC=CC=C3)C(=O)O)Br

InChI

InChI=1S/C18H16BrNO3/c1-2-20-10-14(19)17-15(20)8-13(18(21)22)9-16(17)23-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,22)