(2E)-2-[[1-(carboxymethyl)-5-phenylmethoxy-indol-3-yl]methylidene]butanoic acid

Systemtic Name: (2E)-2-[[1-(carboxymethyl)-5-phenylmethoxy-indol-3-yl]methylidene]butanoic acid Openeye Name: (2E)-2-[[5-benzyloxy-1-(carboxymethyl)indol-3-yl]methylene]butanoic acid CAS Name: (2E)-2-[[1-(carboxymethyl)-5-phenylmethoxy-3-indolyl]methylidene]butanoic acid IUPAC Name: (2E)-2-[[1-(carboxymethyl)-5-phenylmethoxyindol-3-yl]methylidene]butanoic acid Traditional Name: (E)-3-[5-benzoxy-1-(carboxymethyl)indol-3-yl]-2-ethyl-acrylic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-2-16(22(26)27)10-17-12-23(13-21(24)25)20-9-8-18(11-19(17)20)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3,(H,24,25)(H,26,27)/b16-10+