methyl 3-[(4-cyanophenyl)methyl]-5,5-dimethyl-4-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: methyl 3-[(4-cyanophenyl)methyl]-5,5-dimethyl-4-oxidanylidene-oxolane-3-carboxylate Openeye Name: methyl 3-[(4-cyanophenyl)methyl]-5,5-dimethyl-4-oxo-tetrahydrofuran-3-carboxylate CAS Name: 3-[(4-cyanophenyl)methyl]-5,5-dimethyl-4-oxo-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyanophenyl)methyl]-5,5-dimethyl-4-oxooxolane-3-carboxylate Traditional Name: 3-(4-cyanobenzyl)-4-keto-5,5-dimethyl-tetrahydrofuran-3-carboxylic acid methyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(CO1)(CC2=CC=C(C=C2)C#N)C(=O)OC)C

Isomeric SMILES

CC1(C(=O)C(CO1)(CC2=CC=C(C=C2)C#N)C(=O)OC)C

InChI

InChI=1S/C16H17NO4/c1-15(2)13(18)16(10-21-15,14(19)20-3)8-11-4-6-12(9-17)7-5-11/h4-7H,8,10H2,1-3H3