(3-cyanophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (3-cyanophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (3-cyanophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid (3-cyanobenzyl) ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C1(C)C)C(=O)OCC2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC=CC(=C2)C#N)/C(=O)OC

InChI

InChI=1S/C19H21NO4/c1-12(17(21)23-4)8-15-16(19(15,2)3)18(22)24-11-14-7-5-6-13(9-14)10-20/h5-9,15-16H,11H2,1-4H3/b12-8+/t15-,16+/m1/s1