3-[1-[3-(3-methoxyphenyl)prop-2-ynyl]indol-3-yl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[1-[3-(3-methoxyphenyl)prop-2-ynyl]indol-3-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[1-[3-(3-methoxyphenyl)prop-2-ynyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[3-(3-methoxyphenyl)prop-2-ynyl]-3-indolyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[1-[3-(3-methoxyphenyl)prop-2-ynyl]indol-3-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[1-[3-(3-methoxyphenyl)prop-2-ynyl]indol-3-yl]propionic acid Formula: C24H25NO4 MolecularWeight: 391.4596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CN(C2=CC=CC=C21)CC#CC3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CN(C2=CC=CC=C21)CC#CC3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C24H25NO4/c1-17(2)29-23(24(26)27)15-19-16-25(22-12-5-4-11-21(19)22)13-7-9-18-8-6-10-20(14-18)28-3/h4-6,8,10-12,14,16-17,23H,13,15H2,1-3H3,(H,26,27)