[1-(tert-butylamino)-3-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [1-(tert-butylamino)-3-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [2-(tert-butylamino)-1-(chloromethyl)-1-methyl-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-(tert-butylamino)-3-chloro-2-methyl-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-3-chloro-2-methyl-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-(tert-butylamino)-1-(chloromethyl)-2-keto-1-methyl-ethyl] ester Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C)(CCl)OC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=O)C(C)(CCl)OC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C17H22ClNO3/c1-16(2,3)19-15(21)17(4,12-18)22-14(20)11-10-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,19,21)/b11-10+