4-[[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-(2-hexoxyethanoylamino)amino]-2-propyl-benzoate

Systemtic Name: 4-[[(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-(2-hexoxyethanoylamino)amino]-2-propyl-benzoate Openeye Name: 4-[[(2-hexoxyacetyl)amino]-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]amino]-2-propyl-benzoate CAS Name: 4-[[(2-hexoxy-1-oxoethyl)amino]-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-propylbenzoate IUPAC Name: 4-[[(2-hexoxyacetyl)amino]-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2-propylbenzoate Traditional Name: 4-[[(2-hexoxyacetyl)amino]-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acryloyl]amino]-2-propyl-benzoate Formula: C29H37N2O8- MolecularWeight: 541.61268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(=O)NN(C1=CC(=C(C=C1)C(=O)[O-])CCC)C(=O)C=CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CCCCCCOCC(=O)NN(C1=CC(=C(C=C1)C(=O)[O-])CCC)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C29H38N2O8/c1-5-7-8-9-15-39-19-26(32)30-31(22-12-13-23(29(35)36)21(18-22)10-6-2)27(33)14-11-20-16-24(37-3)28(34)25(17-20)38-4/h11-14,16-18,34H,5-10,15,19H2,1-4H3,(H,30,32)(H,35,36)/p-1/b14-11+