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

Systemtic Name: 5-chloranyl-3-phenyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1-carboxylic acid Openeye Name: 5-chloro-3-phenyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1-carboxylic acid CAS Name: 5-chloro-3-phenyl-2-[2-(1-pyrrolidinyl)ethyl]-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-3-phenyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1-carboxylic acid Traditional Name: 5-chloro-3-phenyl-2-(2-pyrrolidinoethyl)isoindole-1-carboxylic acid Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C(=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCN2C(=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O2/c22-16-8-9-17-18(14-16)19(15-6-2-1-3-7-15)24(20(17)21(25)26)13-12-23-10-4-5-11-23/h1-3,6-9,14H,4-5,10-13H2,(H,25,26)