5-chloranyl-3-(3,4-dichlorophenyl)-2-(2-diethylaminoethyl)isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-3-(3,4-dichlorophenyl)-2-(2-diethylaminoethyl)isoindole-1-carboxylic acid Openeye Name: 5-chloro-3-(3,4-dichlorophenyl)-2-(2-diethylaminoethyl)isoindole-1-carboxylic acid CAS Name: 5-chloro-3-(3,4-dichlorophenyl)-2-(2-diethylaminoethyl)-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-3-(3,4-dichlorophenyl)-2-(2-diethylaminoethyl)isoindole-1-carboxylic acid Traditional Name: 5-chloro-3-(3,4-dichlorophenyl)-2-(2-diethylaminoethyl)isoindole-1-carboxylic acid Formula: C21H21Cl3N2O2 MolecularWeight: 439.76264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl3N2O2/c1-3-25(4-2)9-10-26-19(13-5-8-17(23)18(24)11-13)16-12-14(22)6-7-15(16)20(26)21(27)28/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,27,28)