5-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[2-(diethylamino)-2-oxo-ethyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[2-(diethylamino)-2-oxoethyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[2-(diethylamino)-2-oxoethyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-[2-(diethylamino)-2-keto-ethyl]-3-phenyl-isoindole-1-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3/c1-3-23(4-2)18(25)13-24-19(14-8-6-5-7-9-14)17-12-15(22)10-11-16(17)20(24)21(26)27/h5-12H,3-4,13H2,1-2H3,(H,26,27)