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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCNCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O2/c1-2-3-7-13-25-14-8-15-26-21(17-9-5-4-6-10-17)20-16-18(24)11-12-19(20)22(26)23(27)28/h4-6,9-12,16,25H,2-3,7-8,13-15H2,1H3,(H,27,28)