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

Systemtic Name: 5-chloranyl-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O2/c1-3-23(4-2)12-13-24-19(15-8-6-5-7-9-15)18-14-16(22)10-11-17(18)20(24)21(25)26/h5-11,14H,3-4,12-13H2,1-2H3,(H,25,26)