diethyl 2-[(3-methylphenyl)methyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: diethyl 2-[(3-methylphenyl)methyl]-2-prop-2-ynyl-propanedioate Openeye Name: diethyl 2-(m-tolylmethyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-[(3-methylphenyl)methyl]-2-prop-2-ynylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-methylphenyl)methyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-(3-methylbenzyl)-2-propargyl-malonic acid diethyl ester Formula: C18H22O4 MolecularWeight: 302.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#C)(CC1=CC=CC(=C1)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#C)(CC1=CC=CC(=C1)C)C(=O)OCC

InChI

InChI=1S/C18H22O4/c1-5-11-18(16(19)21-6-2,17(20)22-7-3)13-15-10-8-9-14(4)12-15/h1,8-10,12H,6-7,11,13H2,2-4H3