2-[2-methyl-1-[4-(quinoxalin-2-ylmethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-(quinoxalin-2-ylmethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(quinoxalin-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-(2-quinoxalinylmethoxy)phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(quinoxalin-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(quinoxalin-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5N=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5N=C4)CC(=O)O

InChI

InChI=1S/C27H21N3O4/c1-17-13-22-19(14-26(31)32)5-4-8-25(22)30(17)27(33)18-9-11-21(12-10-18)34-16-20-15-28-23-6-2-3-7-24(23)29-20/h2-13,15H,14,16H2,1H3,(H,31,32)