5-chloranyl-2-[3-[ethanoyl(ethyl)amino]propyl]-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-[3-[ethanoyl(ethyl)amino]propyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 2-[3-[acetyl(ethyl)amino]propyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid CAS Name: 2-[3-[acetyl(ethyl)amino]propyl]-5-chloro-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 2-[3-[acetyl(ethyl)amino]propyl]-5-chloro-3-phenylisoindole-1-carboxylic acid Traditional Name: 2-[3-[acetyl(ethyl)amino]propyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCN(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H23ClN2O3/c1-3-24(15(2)26)12-7-13-25-20(16-8-5-4-6-9-16)19-14-17(23)10-11-18(19)21(25)22(27)28/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,27,28)