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

Systemtic Name: 2-[2-methyl-1-[4-(oxan-2-ylmethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(tetrahydropyran-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-(2-oxanylmethoxy)phenyl]-oxomethyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(oxan-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(tetrahydropyran-2-ylmethoxy)benzoyl]indol-4-yl]acetic acid Formula: C24H25NO5 MolecularWeight: 407.459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CCCCO4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CCCCO4)CC(=O)O

InChI

InChI=1S/C24H25NO5/c1-16-13-21-18(14-23(26)27)5-4-7-22(21)25(16)24(28)17-8-10-19(11-9-17)30-15-20-6-2-3-12-29-20/h4-5,7-11,13,20H,2-3,6,12,14-15H2,1H3,(H,26,27)