5-chloranyl-3-phenyl-2-[4-(propan-2-ylamino)pentyl]isoindole-1-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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