3-[1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-3-(pyridin-3-ylmethyl)indol-5-yl]propanoic acid

Systemtic Name: 3-[1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-3-(pyridin-3-ylmethyl)indol-5-yl]propanoic acid Openeye Name: 3-[1-(3-methoxy-3-oxo-propyl)-2-methyl-3-(3-pyridylmethyl)indol-5-yl]propanoic acid CAS Name: 3-[1-(3-methoxy-3-oxopropyl)-2-methyl-3-(3-pyridinylmethyl)-5-indolyl]propanoic acid IUPAC Name: 3-[1-(3-methoxy-3-oxopropyl)-2-methyl-3-(pyridin-3-ylmethyl)indol-5-yl]propanoic acid Traditional Name: 3-[1-(3-keto-3-methoxy-propyl)-2-methyl-3-(3-pyridylmethyl)indol-5-yl]propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15-18(13-17-4-3-10-23-14-17)19-12-16(6-8-21(25)26)5-7-20(19)24(15)11-9-22(27)28-2/h3-5,7,10,12,14H,6,8-9,11,13H2,1-2H3,(H,25,26)