3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]propanoic acid Openeye Name: 3-[4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethyl-phenyl]propanoic acid CAS Name: 3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]propanoic acid Traditional Name: 3-[4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethyl-phenyl]propionic acid Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)C)CCC(=O)O

InChI

InChI=1S/C22H25NO3/c1-13(2)19-12-23-20-7-6-17(11-18(19)20)26-22-14(3)9-16(10-15(22)4)5-8-21(24)25/h6-7,9-13,23H,5,8H2,1-4H3,(H,24,25)