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

Systemtic Name: 2-[2-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(pyrazin-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-(2-pyrazinylmethoxy)phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(pyrazin-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(pyrazin-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=NC=CN=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=NC=CN=C4)CC(=O)O

InChI

InChI=1S/C23H19N3O4/c1-15-11-20-17(12-22(27)28)3-2-4-21(20)26(15)23(29)16-5-7-19(8-6-16)30-14-18-13-24-9-10-25-18/h2-11,13H,12,14H2,1H3,(H,27,28)