4-[[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-methyl-(2-octoxyethanoylamino)azaniumyl]benzoate

Systemtic Name: 4-[[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-methyl-(2-octoxyethanoylamino)azaniumyl]benzoate Openeye Name: 4-[[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]-methyl-[(2-octoxyacetyl)amino]ammonio]benzoate CAS Name: 4-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-methyl-[(2-octoxy-1-oxoethyl)amino]ammonio]benzoate IUPAC Name: 4-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-methyl-[(2-octoxyacetyl)amino]azaniumyl]benzoate Traditional Name: 4-[[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]-methyl-[(2-octoxyacetyl)amino]ammonio]benzoate Formula: C29H38N2O8 MolecularWeight: 542.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)[O-])C(=O)C=CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CCCCCCCCOCC(=O)N[N+](C)(C1=CC=C(C=C1)C(=O)[O-])C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C29H38N2O8/c1-5-6-7-8-9-10-17-39-20-26(32)30-31(2,23-14-12-22(13-15-23)29(35)36)27(33)16-11-21-18-24(37-3)28(34)25(19-21)38-4/h11-16,18-19H,5-10,17,20H2,1-4H3,(H2-,30,32,33,34,35,36)