12-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoic acid

Systemtic Name: 12-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoic acid Openeye Name: 12-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoic acid CAS Name: 12-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]-2-pyrrolyl]dodecanoic acid IUPAC Name: 12-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoic acid Traditional Name: 12-[(5E)-5-[3-ethoxy-1-methyl-5-(1H-pyrrol-2-yl)-2-pyrrolin-2-ylidene]pyrrol-2-yl]lauric acid Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O3/c1-3-33-25-20-24(22-15-13-19-28-22)30(2)27(25)23-18-17-21(29-23)14-11-9-7-5-4-6-8-10-12-16-26(31)32/h13,15,17-20,25,28H,3-12,14,16H2,1-2H3,(H,31,32)/b27-23+