2-(2-phenyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-thenyl)piperazino]acetic acid Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H25N3O2S/c29-25(30)24(28-14-12-27(13-15-28)17-19-9-6-16-31-19)22-20-10-4-5-11-21(20)26-23(22)18-7-2-1-3-8-18/h1-11,16,24,26H,12-15,17H2,(H,29,30)