5-chloranyl-2-[4-(diethylamino)butyl]-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-[4-(diethylamino)butyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[4-(diethylamino)butyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[4-(diethylamino)butyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[4-(diethylamino)butyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-[4-(diethylamino)butyl]-3-phenyl-isoindole-1-carboxylic acid Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O2/c1-3-25(4-2)14-8-9-15-26-21(17-10-6-5-7-11-17)20-16-18(24)12-13-19(20)22(26)23(27)28/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,27,28)