4-chloranyl-3-[(5E)-3,3-dimethyl-4-oxidanylidene-5-(oxidanylmethylidene)pyrrol-2-yl]-N-dodecyl-benzamide

Systemtic Name: 4-chloranyl-3-[(5E)-3,3-dimethyl-4-oxidanylidene-5-(oxidanylmethylidene)pyrrol-2-yl]-N-dodecyl-benzamide Openeye Name: 4-chloro-N-dodecyl-3-[(5E)-5-(hydroxymethylene)-3,3-dimethyl-4-oxo-pyrrol-2-yl]benzamide CAS Name: 4-chloro-N-dodecyl-3-[(5E)-5-(hydroxymethylidene)-3,3-dimethyl-4-oxo-2-pyrrolyl]benzamide IUPAC Name: 4-chloro-N-dodecyl-3-[(5E)-5-(hydroxymethylidene)-3,3-dimethyl-4-oxopyrrol-2-yl]benzamide Traditional Name: 4-chloro-3-[(5E)-5-(hydroxymethylene)-4-keto-3,3-dimethyl-1-pyrrolin-2-yl]-N-lauryl-benzamide Formula: C26H37ClN2O3 MolecularWeight: 461.03658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)Cl)C2=NC(=CO)C(=O)C2(C)C

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)Cl)C2=N/C(=C/O)/C(=O)C2(C)C

InChI

InChI=1S/C26H37ClN2O3/c1-4-5-6-7-8-9-10-11-12-13-16-28-25(32)19-14-15-21(27)20(17-19)23-26(2,3)24(31)22(18-30)29-23/h14-15,17-18,30H,4-13,16H2,1-3H3,(H,28,32)/b22-18+