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

Systemtic Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoic acid Openeye Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoic acid CAS Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]-2-pyrrolyl]dodecanoic acid IUPAC Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoic acid Traditional Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-2-pyrrolin-2-ylidene]pyrrol-2-yl]lauric acid Formula: C28H41N3O3 MolecularWeight: 467.64344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(N(C1=C2C=CC(=N2)CCCCCCCCCCCC(=O)O)C)C3=CC=CN3

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O3/c1-3-20-34-26-21-25(23-15-13-19-29-23)31(2)28(26)24-18-17-22(30-24)14-11-9-7-5-4-6-8-10-12-16-27(32)33/h13,15,17-19,21,26,29H,3-12,14,16,20H2,1-2H3,(H,32,33)/b28-24+