6-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]hexanoic acid

Systemtic Name: 6-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]hexanoic acid CAS Name: 6-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]-2-pyrrolyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]hexanoic acid Traditional Name: 6-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-2-pyrrolin-2-ylidene]pyrrol-2-yl]hexanoic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C=C(N(C1=C2C=CC(=N2)CCCCCC(=O)O)C)C3=CC=CN3

Isomeric SMILES

CCOC\1C=C(N(/C1=C/2\C=CC(=N2)CCCCCC(=O)O)C)C3=CC=CN3

InChI

InChI=1S/C21H27N3O3/c1-3-27-19-14-18(16-9-7-13-22-16)24(2)21(19)17-12-11-15(23-17)8-5-4-6-10-20(25)26/h7,9,11-14,19,22H,3-6,8,10H2,1-2H3,(H,25,26)/b21-17+