dimethyl 2-[(E)-4-oxidanylbut-2-enyl]-2-(4-phenylbut-3-yn-2-yl)propanedioate

Systemtic Name: dimethyl 2-[(E)-4-oxidanylbut-2-enyl]-2-(4-phenylbut-3-yn-2-yl)propanedioate Openeye Name: dimethyl 2-[(E)-4-hydroxybut-2-enyl]-2-(1-methyl-3-phenyl-prop-2-ynyl)propanedioate CAS Name: 2-[(E)-4-hydroxybut-2-enyl]-2-(4-phenylbut-3-yn-2-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-hydroxybut-2-enyl]-2-(4-phenylbut-3-yn-2-yl)propanedioate Traditional Name: 2-[(E)-4-hydroxybut-2-enyl]-2-(1-methyl-3-phenyl-prop-2-ynyl)malonic acid dimethyl ester Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=CC=C1)C(CC=CCO)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C#CC1=CC=CC=C1)C(C/C=C/CO)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H22O5/c1-15(11-12-16-9-5-4-6-10-16)19(17(21)23-2,18(22)24-3)13-7-8-14-20/h4-10,15,20H,13-14H2,1-3H3/b8-7+