6-(4-tert-butylphenyl)-1-[(3-phenoxyphenyl)methyl]-3-thiophen-2-yl-indole-2-carboxylic acid

Systemtic Name: 6-(4-tert-butylphenyl)-1-[(3-phenoxyphenyl)methyl]-3-thiophen-2-yl-indole-2-carboxylic acid Openeye Name: 6-(4-tert-butylphenyl)-1-[(3-phenoxyphenyl)methyl]-3-(2-thienyl)indole-2-carboxylic acid CAS Name: 6-(4-tert-butylphenyl)-1-[(3-phenoxyphenyl)methyl]-3-thiophen-2-yl-2-indolecarboxylic acid IUPAC Name: 6-(4-tert-butylphenyl)-1-[(3-phenoxyphenyl)methyl]-3-thiophen-2-ylindole-2-carboxylic acid Traditional Name: 6-(4-tert-butylphenyl)-1-(3-phenoxybenzyl)-3-(2-thienyl)indole-2-carboxylic acid Formula: C36H31NO3S MolecularWeight: 557.70124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=C(N3CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)O)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=C(N3CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)O)C6=CC=CS6

InChI

InChI=1S/C36H31NO3S/c1-36(2,3)27-17-14-25(15-18-27)26-16-19-30-31(22-26)37(34(35(38)39)33(30)32-13-8-20-41-32)23-24-9-7-12-29(21-24)40-28-10-5-4-6-11-28/h4-22H,23H2,1-3H3,(H,38,39)