1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-[(4-phenylbutan-2-ylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-[(4-phenylbutan-2-ylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-3-[[(1-methyl-3-phenyl-propyl)amino]methyl]indole-2-carboxylic acid CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[(4-phenylbutan-2-ylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[(4-phenylbutan-2-ylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-3-[[(1-methyl-3-phenyl-propyl)amino]methyl]indole-2-carboxylic acid Formula: C27H26ClFN2O2 MolecularWeight: 464.958943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC2=C(N(C3=CC=CC=C32)CC4=C(C=C(C=C4)F)Cl)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC2=C(N(C3=CC=CC=C32)CC4=C(C=C(C=C4)F)Cl)C(=O)O

InChI

InChI=1S/C27H26ClFN2O2/c1-18(11-12-19-7-3-2-4-8-19)30-16-23-22-9-5-6-10-25(22)31(26(23)27(32)33)17-20-13-14-21(29)15-24(20)28/h2-10,13-15,18,30H,11-12,16-17H2,1H3,(H,32,33)