5-chloranyl-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[3-(diethylamino)propyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[3-(diethylamino)propyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-[3-(diethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O2/c1-3-24(4-2)13-8-14-25-20(16-9-6-5-7-10-16)19-15-17(23)11-12-18(19)21(25)22(26)27/h5-7,9-12,15H,3-4,8,13-14H2,1-2H3,(H,26,27)