ethyl 5-chloranyl-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylate

Systemtic Name: ethyl 5-chloranyl-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylate Openeye Name: ethyl 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylate CAS Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-1-isoindolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-(2-diethylaminoethyl)-3-phenylisoindole-1-carboxylate Traditional Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid ethyl ester Formula: C23H27ClN2O2 MolecularWeight: 398.92568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C2C=C(C=CC2=C1C(=O)OCC)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN1C(=C2C=C(C=CC2=C1C(=O)OCC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O2/c1-4-25(5-2)14-15-26-21(17-10-8-7-9-11-17)20-16-18(24)12-13-19(20)22(26)23(27)28-6-3/h7-13,16H,4-6,14-15H2,1-3H3