(phenylmethyl) (2S)-2-[(E,2R)-6-methoxy-2-methyl-6-oxidanylidene-hex-4-enyl]-2H-pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(E,2R)-6-methoxy-2-methyl-6-oxidanylidene-hex-4-enyl]-2H-pyridine-1-carboxylate Openeye Name: benzyl (2S)-2-[(E,2R)-6-methoxy-2-methyl-6-oxo-hex-4-enyl]-2H-pyridine-1-carboxylate CAS Name: (2S)-2-[(E,2R)-6-methoxy-2-methyl-6-oxohex-4-enyl]-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(E,2R)-6-methoxy-2-methyl-6-oxohex-4-enyl]-2H-pyridine-1-carboxylate Traditional Name: (2S)-2-[(E,2R)-6-keto-6-methoxy-2-methyl-hex-4-enyl]-2H-pyridine-1-carboxylic acid benzyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC(=O)OC)CC1C=CC=CN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C/C=C/C(=O)OC)C[C@H]1C=CC=CN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-17(9-8-13-20(23)25-2)15-19-12-6-7-14-22(19)21(24)26-16-18-10-4-3-5-11-18/h3-8,10-14,17,19H,9,15-16H2,1-2H3/b13-8+/t17-,19-/m1/s1