3-[4-(3-chloranylbenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-chloranylbenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(3-chloro-6-benzo[b][1]benzothiepinyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazino]propionic acid Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42

InChI

InChI=1S/C21H21ClN2O2S/c22-16-5-6-19-15(13-16)14-18(17-3-1-2-4-20(17)27-19)24-11-9-23(10-12-24)8-7-21(25)26/h1-6,13-14H,7-12H2,(H,25,26)