[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC=CC=C2OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=CC=C2OCC

InChI

InChI=1S/C22H25NO4/c1-4-17-10-13-19(14-11-17)23-22(25)16(3)27-21(24)15-12-18-8-6-7-9-20(18)26-5-2/h6-16H,4-5H2,1-3H3,(H,23,25)/b15-12+/t16-/m0/s1