3-ethenyl-5-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-2-phenoxy-benzoic acid

Systemtic Name: 3-ethenyl-5-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-2-phenoxy-benzoic acid Openeye Name: 5-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]-2-phenoxy-3-vinyl-benzoic acid CAS Name: 3-ethenyl-5-[2-[methyl(phenethyl)amino]-2-oxoethyl]-2-phenoxybenzoic acid IUPAC Name: 3-ethenyl-5-[2-[methyl(phenethyl)amino]-2-oxoethyl]-2-phenoxybenzoic acid Traditional Name: 5-[2-keto-2-[methyl(phenethyl)amino]ethyl]-2-phenoxy-3-vinyl-benzoic acid Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=C(C(=C2)C=C)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC2=CC(=C(C(=C2)C=C)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H25NO4/c1-3-21-16-20(18-24(28)27(2)15-14-19-10-6-4-7-11-19)17-23(26(29)30)25(21)31-22-12-8-5-9-13-22/h3-13,16-17H,1,14-15,18H2,2H3,(H,29,30)