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

Systemtic Name: O1-ethyl O3-methyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-enyl-propanedioate Openeye Name: O1-ethyl O3-methyl 2-allyl-2-[(2-ethynylphenyl)methyl]propanedioate CAS Name: 2-[(2-ethynylphenyl)methyl]-2-prop-2-enylpropanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-(2-ethynylbenzyl)malonic acid O1-ethyl ester O3-methyl ester Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4/c1-5-12-18(16(19)21-4,17(20)22-7-3)13-15-11-9-8-10-14(15)6-2/h2,5,8-11H,1,7,12-13H2,3-4H3