[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-(2,6-diethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-diethylanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H25NO3/c1-4-18-12-9-13-19(5-2)21(18)23-22(25)16(3)26-20(24)15-14-17-10-7-6-8-11-17/h6-16H,4-5H2,1-3H3,(H,23,25)/b15-14+