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

Systemtic Name: 2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-3-phenyl-isoindole-1-carboxylic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2/c1-3-22(4-2)14-15-23-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)20(23)21(24)25/h5-13H,3-4,14-15H2,1-2H3,(H,24,25)