(E)-3-[1-(carboxymethyl)-4-phenylmethoxy-indol-3-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[1-(carboxymethyl)-4-phenylmethoxy-indol-3-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-benzyloxy-1-(carboxymethyl)indol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[1-(carboxymethyl)-4-phenylmethoxy-3-indolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[1-(carboxymethyl)-4-phenylmethoxyindol-3-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-benzoxy-1-(carboxymethyl)indol-3-yl]-2-methyl-acrylic acid Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN(C2=C1C(=CC=C2)OCC3=CC=CC=C3)CC(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C1=CN(C2=C1C(=CC=C2)OCC3=CC=CC=C3)CC(=O)O)/C(=O)O

InChI

InChI=1S/C21H19NO5/c1-14(21(25)26)10-16-11-22(12-19(23)24)17-8-5-9-18(20(16)17)27-13-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,23,24)(H,25,26)/b14-10+