dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-(3-phenylprop-2-ynyl)propanedioate

Systemtic Name: dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-(3-phenylprop-2-ynyl)propanedioate Openeye Name: dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-(3-phenylprop-2-ynyl)propanedioate CAS Name: 2-[(4,5-dimethyl-1-cyclohexa-1,4-dienyl)methyl]-2-(3-phenylprop-2-ynyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-(3-phenylprop-2-ynyl)propanedioate Traditional Name: 2-[(4,5-dimethylcyclohexa-1,4-dien-1-yl)methyl]-2-(3-phenylprop-2-ynyl)malonic acid dimethyl ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=CC1)CC(CC#CC2=CC=CC=C2)(C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=C(CC(=CC1)CC(CC#CC2=CC=CC=C2)(C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C23H26O4/c1-17-12-13-20(15-18(17)2)16-23(21(24)26-3,22(25)27-4)14-8-11-19-9-6-5-7-10-19/h5-7,9-10,13H,12,14-16H2,1-4H3