[(4E,8Z)-2-azanyl-9-methyl-3-oxidanyl-octadeca-4,8-dienyl] benzoate

Systemtic Name: [(4E,8Z)-2-azanyl-9-methyl-3-oxidanyl-octadeca-4,8-dienyl] benzoate Openeye Name: [(4E,8Z)-2-amino-3-hydroxy-9-methyl-octadeca-4,8-dienyl] benzoate CAS Name: benzoic acid [(4E,8Z)-2-amino-3-hydroxy-9-methyloctadeca-4,8-dienyl] ester IUPAC Name: [(4E,8Z)-2-amino-3-hydroxy-9-methyloctadeca-4,8-dienyl] benzoate Traditional Name: benzoic acid [(4E,8Z)-2-amino-3-hydroxy-9-methyl-octadeca-4,8-dienyl] ester Formula: C26H41NO3 MolecularWeight: 415.60864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=CCCC=CC(C(COC(=O)C1=CC=CC=C1)N)O)C

Isomeric SMILES

CCCCCCCCC/C(=C\CC/C=C/C(C(COC(=O)C1=CC=CC=C1)N)O)/C

InChI

InChI=1S/C26H41NO3/c1-3-4-5-6-7-8-11-16-22(2)17-12-9-15-20-25(28)24(27)21-30-26(29)23-18-13-10-14-19-23/h10,13-15,17-20,24-25,28H,3-9,11-12,16,21,27H2,1-2H3/b20-15+,22-17-