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

Systemtic Name: (E)-3-[1-(carboxymethyl)-5-phenylmethoxy-indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-benzyloxy-1-(carboxymethyl)indol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(carboxymethyl)-5-phenylmethoxy-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(carboxymethyl)-5-phenylmethoxyindol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-benzoxy-1-(carboxymethyl)indol-3-yl]acrylic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3C=CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3/C=C/C(=O)O)CC(=O)O

InChI

InChI=1S/C20H17NO5/c22-19(23)9-6-15-11-21(12-20(24)25)18-8-7-16(10-17(15)18)26-13-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,22,23)(H,24,25)/b9-6+