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

Systemtic Name: 12-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]dodecanoic acid Openeye Name: 12-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]dodecanoic acid CAS Name: 12-[5-[(E)-[(5Z)-3-ethoxy-5-(2-pyrrolylidene)-2-pyrrolylidene]methyl]-1H-pyrrol-2-yl]dodecanoic acid IUPAC Name: 12-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]dodecanoic acid Traditional Name: 12-[5-[(E)-[(5Z)-3-ethoxy-5-pyrrol-2-ylidene-3-pyrrolin-2-ylidene]methyl]-1H-pyrrol-2-yl]lauric acid Formula: C27H37N3O3 MolecularWeight: 451.60098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-2-33-26-20-24(23-14-12-18-28-23)30-25(26)19-22-17-16-21(29-22)13-10-8-6-4-3-5-7-9-11-15-27(31)32/h12,14,16-20,29-30H,2-11,13,15H2,1H3,(H,31,32)/b24-23-,25-19+