(2E)-2-[[1-(carboxymethyl)-4-phenylmethoxy-indol-3-yl]methylidene]butanoic acid

Systemtic Name: (2E)-2-[[1-(carboxymethyl)-4-phenylmethoxy-indol-3-yl]methylidene]butanoic acid Openeye Name: (2E)-2-[[4-benzyloxy-1-(carboxymethyl)indol-3-yl]methylene]butanoic acid CAS Name: (2E)-2-[[1-(carboxymethyl)-4-phenylmethoxy-3-indolyl]methylidene]butanoic acid IUPAC Name: (2E)-2-[[1-(carboxymethyl)-4-phenylmethoxyindol-3-yl]methylidene]butanoic acid Traditional Name: (E)-3-[4-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(=CC=C2)OCC3=CC=CC=C3)CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

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