sodium 3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]propanoate

Systemtic Name: sodium 3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]propanoate Openeye Name: sodium 3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]propanoate CAS Name: sodium 3-[3-phenethyl-1-(4-phenoxyphenyl)-5-indolyl]propanoate IUPAC Name: sodium 3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]propanoate Traditional Name: sodium 3-[3-phenethyl-1-(4-phenoxyphenyl)indol-5-yl]propionate Formula: C31H26NNaO3 MolecularWeight: 483.53281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN(C3=C2C=C(C=C3)CCC(=O)[O-])C4=CC=C(C=C4)OC5=CC=CC=C5.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN(C3=C2C=C(C=C3)CCC(=O)[O-])C4=CC=C(C=C4)OC5=CC=CC=C5.[Na+]

InChI

InChI=1S/C31H27NO3.Na/c33-31(34)20-13-24-12-19-30-29(21-24)25(14-11-23-7-3-1-4-8-23)22-32(30)26-15-17-28(18-16-26)35-27-9-5-2-6-10-27;/h1-10,12,15-19,21-22H,11,13-14,20H2,(H,33,34);/q;+1/p-1