13-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]tridecanoic acid

Systemtic Name: 13-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]tridecanoic acid Openeye Name: 13-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]tridecanoic acid CAS Name: 13-[5-[(E)-[(5Z)-3-ethoxy-5-(2-pyrrolylidene)-2-pyrrolylidene]methyl]-1H-pyrrol-2-yl]tridecanoic acid IUPAC Name: 13-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]tridecanoic acid Traditional Name: 13-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidene-3-pyrrolin-2-ylidene]methyl]-1H-pyrrol-2-yl]tridecanoic acid Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C=CC=N2)NC1=CC3=CC=C(N3)CCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCOC\1=C/C(=C/2\C=CC=N2)/N/C1=C/C3=CC=C(N3)CCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C28H39N3O3/c1-2-34-27-21-25(24-15-13-19-29-24)31-26(27)20-23-18-17-22(30-23)14-11-9-7-5-3-4-6-8-10-12-16-28(32)33/h13,15,17-21,30-31H,2-12,14,16H2,1H3,(H,32,33)/b25-24-,26-20+