N-[3,4-bis(oxidanyl)phenyl]-N'-[(E)-octadec-9-enoyl]propanediamide

Systemtic Name: N-[3,4-bis(oxidanyl)phenyl]-N'-[(E)-octadec-9-enoyl]propanediamide Openeye Name: N-(3,4-dihydroxyphenyl)-N'-[(E)-octadec-9-enoyl]propanediamide CAS Name: N-(3,4-dihydroxyphenyl)-N'-[(E)-1-oxooctadec-9-enyl]propanediamide IUPAC Name: N-(3,4-dihydroxyphenyl)-N'-[(E)-octadec-9-enoyl]propanediamide Traditional Name: N-(3,4-dihydroxyphenyl)-N'-[(E)-octadec-9-enoyl]malonamide Formula: C27H42N2O5 MolecularWeight: 474.63278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(=O)CC(=O)NC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(=O)CC(=O)NC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C27H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(32)29-27(34)21-26(33)28-22-18-19-23(30)24(31)20-22/h9-10,18-20,30-31H,2-8,11-17,21H2,1H3,(H,28,33)(H,29,32,34)/b10-9+