(E)-3-[1-(carboxymethyl)-5-phenylmethoxy-indol-3-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[1-(carboxymethyl)-5-phenylmethoxy-indol-3-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[5-benzyloxy-1-(carboxymethyl)indol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[1-(carboxymethyl)-5-phenylmethoxy-3-indolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[1-(carboxymethyl)-5-phenylmethoxyindol-3-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[5-benzoxy-1-(carboxymethyl)indol-3-yl]-2-methyl-acrylic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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