1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-6-methoxy-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-3-[(2-thiophen-2-ylethylamino)methyl]indole-2-carboxylic acid Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-6-methoxy-3-[[2-(2-thienyl)ethylamino]methyl]indole-2-carboxylic acid Formula: C24H22ClFN2O3S MolecularWeight: 472.959483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)F)Cl)C(=O)O)CNCCC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2CC3=C(C=C(C=C3)F)Cl)C(=O)O)CNCCC4=CC=CS4

InChI

InChI=1S/C24H22ClFN2O3S/c1-31-17-6-7-19-20(13-27-9-8-18-3-2-10-32-18)23(24(29)30)28(22(19)12-17)14-15-4-5-16(26)11-21(15)25/h2-7,10-12,27H,8-9,13-14H2,1H3,(H,29,30)