2,4-bis[6-fluoranyl-1-(phenylmethyl)indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,4-bis[6-fluoranyl-1-(phenylmethyl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 2,4-bis(1-benzyl-6-fluoro-indol-3-yl)-4-oxo-butanoic acid CAS Name: 2,4-bis[6-fluoro-1-(phenylmethyl)-3-indolyl]-4-oxobutanoic acid IUPAC Name: 2,4-bis(1-benzyl-6-fluoroindol-3-yl)-4-oxobutanoic acid Traditional Name: 2,4-bis(1-benzyl-6-fluoro-indol-3-yl)-4-keto-butyric acid Formula: C34H26F2N2O3 MolecularWeight: 548.578646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=C(C=C3)F)C(CC(=O)C4=CN(C5=C4C=CC(=C5)F)CC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=C(C=C3)F)C(CC(=O)C4=CN(C5=C4C=CC(=C5)F)CC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C34H26F2N2O3/c35-24-11-13-26-29(20-37(31(26)15-24)18-22-7-3-1-4-8-22)28(34(40)41)17-33(39)30-21-38(19-23-9-5-2-6-10-23)32-16-25(36)12-14-27(30)32/h1-16,20-21,28H,17-19H2,(H,40,41)