N-[(E)-17-azanyl-16,18-bis(oxidanyl)octadec-14-enoyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(E)-17-azanyl-16,18-bis(oxidanyl)octadec-14-enoyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(E)-17-amino-16,18-dihydroxy-octadec-14-enoyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(E)-17-amino-16,18-dihydroxy-1-oxooctadec-14-enyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(E)-17-amino-16,18-dihydroxyoctadec-14-enoyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(E)-17-amino-16,18-dihydroxy-octadec-14-enoyl]-3,4,5-trimethoxy-benzamide Formula: C28H46N2O7 MolecularWeight: 522.67404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=O)CCCCCCCCCCCCC=CC(C(CO)N)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=O)CCCCCCCCCCCC/C=C/C(C(CO)N)O

InChI

InChI=1S/C28H46N2O7/c1-35-24-18-21(19-25(36-2)27(24)37-3)28(34)30-26(33)17-15-13-11-9-7-5-4-6-8-10-12-14-16-23(32)22(29)20-31/h14,16,18-19,22-23,31-32H,4-13,15,17,20,29H2,1-3H3,(H,30,33,34)/b16-14+