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

Systemtic Name: 2-[2-methyl-1-[4-(oxetan-2-ylmethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(oxetan-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-(2-oxetanylmethoxy)phenyl]-oxomethyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(oxetan-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(oxetan-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CCO4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CCO4)CC(=O)O

InChI

InChI=1S/C22H21NO5/c1-14-11-19-16(12-21(24)25)3-2-4-20(19)23(14)22(26)15-5-7-17(8-6-15)28-13-18-9-10-27-18/h2-8,11,18H,9-10,12-13H2,1H3,(H,24,25)