5-chloranyl-2-[2-(dibutylamino)ethyl]-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-(dibutylamino)ethyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[2-(dibutylamino)ethyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[2-(dibutylamino)ethyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[2-(dibutylamino)ethyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-[2-(dibutylamino)ethyl]-3-phenyl-isoindole-1-carboxylic acid Formula: C25H31ClN2O2 MolecularWeight: 426.97884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN2O2/c1-3-5-14-27(15-6-4-2)16-17-28-23(19-10-8-7-9-11-19)22-18-20(26)12-13-21(22)24(28)25(29)30/h7-13,18H,3-6,14-17H2,1-2H3,(H,29,30)