(12Z,15Z,18Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]henicosa-12,15,18-trien-1-one

Systemtic Name: (12Z,15Z,18Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]henicosa-12,15,18-trien-1-one Openeye Name: (12Z,15Z,18Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]henicosa-12,15,18-trien-1-one CAS Name: (12Z,15Z,18Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]-1-heneicosa-12,15,18-trienone IUPAC Name: (12Z,15Z,18Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]henicosa-12,15,18-trien-1-one Traditional Name: (12Z,15Z,18Z)-1-(5-methylol-1H-pyrrol-2-yl)heneicosa-12,15,18-trien-1-one Formula: C26H41NO2 MolecularWeight: 399.60924

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCCCCC(=O)C1=CC=C(N1)CO

Isomeric SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)C1=CC=C(N1)CO

InChI

InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)25-22-21-24(23-28)27-25/h3-4,6-7,9-10,21-22,27-28H,2,5,8,11-20,23H2,1H3/b4-3-,7-6-,10-9-