dimethyl 2-[(1S)-1-phenylprop-2-enyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-phenylprop-2-enyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(1S)-1-phenylallyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(1S)-1-phenylprop-2-enyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-phenylprop-2-enyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[(1S)-1-phenylallyl]-2-propargyl-malonic acid dimethyl ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)(C(C=C)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(CC#C)([C@@H](C=C)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C17H18O4/c1-5-12-17(15(18)20-3,16(19)21-4)14(6-2)13-10-8-7-9-11-13/h1,6-11,14H,2,12H2,3-4H3/t14-/m0/s1