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

Systemtic Name: 5-chloranyl-2-[3-(cyclohexylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[3-(cyclohexylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[3-(cyclohexylamino)propyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[3-(cyclohexylamino)propyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-[3-(cyclohexylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid Formula: C24H27ClN2O2 MolecularWeight: 410.93638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCN2C(=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NCCCN2C(=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H27ClN2O2/c25-18-12-13-20-21(16-18)22(17-8-3-1-4-9-17)27(23(20)24(28)29)15-7-14-26-19-10-5-2-6-11-19/h1,3-4,8-9,12-13,16,19,26H,2,5-7,10-11,14-15H2,(H,28,29)