5,7-bis(chloranyl)-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5,7-bis(chloranyl)-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5,7-dichloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5,7-dichloro-2-(2-diethylaminoethyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5,7-dichloro-2-(2-diethylaminoethyl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 5,7-dichloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C2C=C(C=C(C2=C1C(=O)O)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN1C(=C2C=C(C=C(C2=C1C(=O)O)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22Cl2N2O2/c1-3-24(4-2)10-11-25-19(14-8-6-5-7-9-14)16-12-15(22)13-17(23)18(16)20(25)21(26)27/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,26,27)