N-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propyl]-4-(cyclooct-2-yn-1-yloxymethyl)benzamide

Systemtic Name: N-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propyl]-4-(cyclooct-2-yn-1-yloxymethyl)benzamide Openeye Name: 4-(cyclooct-2-yn-1-yloxymethyl)-N-[3-(2,5-dioxopyrrol-1-yl)propyl]benzamide CAS Name: 4-(1-cyclooct-2-ynyloxymethyl)-N-[3-(2,5-dioxo-1-pyrrolyl)propyl]benzamide IUPAC Name: 4-(cyclooct-2-yn-1-yloxymethyl)-N-[3-(2,5-dioxopyrrol-1-yl)propyl]benzamide Traditional Name: 4-(cyclooct-2-yn-1-yloxymethyl)-N-(3-maleimidopropyl)benzamide Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC#CC(CC1)OCC2=CC=C(C=C2)C(=O)NCCCN3C(=O)C=CC3=O

Isomeric SMILES

C1CCC#CC(CC1)OCC2=CC=C(C=C2)C(=O)NCCCN3C(=O)C=CC3=O

InChI

InChI=1S/C23H26N2O4/c26-21-13-14-22(27)25(21)16-6-15-24-23(28)19-11-9-18(10-12-19)17-29-20-7-4-2-1-3-5-8-20/h9-14,20H,1-4,6-7,15-17H2,(H,24,28)