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

Systemtic Name: 6-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]hexanoic acid CAS Name: 6-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]-2-pyrrolyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]hexanoic acid Traditional Name: 6-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-2-pyrrolin-2-ylidene]pyrrol-2-yl]hexanoic acid Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-3-14-28-20-15-19(17-9-7-13-23-17)25(2)22(20)18-12-11-16(24-18)8-5-4-6-10-21(26)27/h7,9,11-13,15,20,23H,3-6,8,10,14H2,1-2H3,(H,26,27)/b22-18+