4-(3-cyano-4-phenylmethoxy-indol-1-yl)benzoic acid

Systemtic Name: 4-(3-cyano-4-phenylmethoxy-indol-1-yl)benzoic acid Openeye Name: 4-(4-benzyloxy-3-cyano-indol-1-yl)benzoic acid CAS Name: 4-(3-cyano-4-phenylmethoxy-1-indolyl)benzoic acid IUPAC Name: 4-(3-cyano-4-phenylmethoxyindol-1-yl)benzoic acid Traditional Name: 4-(4-benzoxy-3-cyano-indol-1-yl)benzoic acid Formula: C23H16N2O3 MolecularWeight: 368.38474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3C4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3C4=CC=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C23H16N2O3/c24-13-18-14-25(19-11-9-17(10-12-19)23(26)27)20-7-4-8-21(22(18)20)28-15-16-5-2-1-3-6-16/h1-12,14H,15H2,(H,26,27)