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

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC=CC=C2C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=CC=C2C

InChI

InChI=1S/C21H23NO4/c1-4-25-19-12-10-18(11-13-19)22-21(24)16(3)26-20(23)14-9-17-8-6-5-7-15(17)2/h5-14,16H,4H2,1-3H3,(H,22,24)/b14-9+/t16-/m0/s1