O3-tert-butyl O1-methyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-enyl-propanedioate

Systemtic Name: O3-tert-butyl O1-methyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-enyl-propanedioate Openeye Name: O1-tert-butyl O3-methyl 2-allyl-2-[(2-ethynylphenyl)methyl]propanedioate CAS Name: 2-[(2-ethynylphenyl)methyl]-2-prop-2-enylpropanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-(2-ethynylbenzyl)malonic acid O1-tert-butyl ester O3-methyl ester Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=C)(CC1=CC=CC=C1C#C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(CC=C)(CC1=CC=CC=C1C#C)C(=O)OC

InChI

InChI=1S/C20H24O4/c1-7-13-20(17(21)23-6,18(22)24-19(3,4)5)14-16-12-10-9-11-15(16)8-2/h2,7,9-12H,1,13-14H2,3-6H3