2-[5-[2-[3-ethyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]-2-methanoyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[2-[3-ethyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]-2-methanoyl-phenyl]ethanoic acid Openeye Name: 2-[5-[2-[3-ethyl-4-(1-isopropoxycyclopropyl)phenyl]ethynyl]-2-formyl-phenyl]acetic acid CAS Name: 2-[5-[2-[3-ethyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]-2-formylphenyl]acetic acid IUPAC Name: 2-[5-[2-[3-ethyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]-2-formylphenyl]acetic acid Traditional Name: 2-[5-[2-[3-ethyl-4-(1-isopropoxycyclopropyl)phenyl]ethynyl]-2-formyl-phenyl]acetic acid Formula: C25H26O4 MolecularWeight: 390.47154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#CC2=CC(=C(C=C2)C=O)CC(=O)O)C3(CC3)OC(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC2=CC(=C(C=C2)C=O)CC(=O)O)C3(CC3)OC(C)C

InChI

InChI=1S/C25H26O4/c1-4-20-13-19(8-10-23(20)25(11-12-25)29-17(2)3)6-5-18-7-9-21(16-26)22(14-18)15-24(27)28/h7-10,13-14,16-17H,4,11-12,15H2,1-3H3,(H,27,28)