2-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[(Z)-2-methyl-3-[4-(3-pyridinylmethyl)phenyl]prop-2-enoxy]ethyl ester IUPAC Name: 2-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCOCC(=CC1=CC=C(C=C1)CC2=CN=CC=C2)C

Isomeric SMILES

CC(=O)CC(=O)OCCOC/C(=C\C1=CC=C(C=C1)CC2=CN=CC=C2)/C

InChI

InChI=1S/C22H25NO4/c1-17(16-26-10-11-27-22(25)13-18(2)24)12-19-5-7-20(8-6-19)14-21-4-3-9-23-15-21/h3-9,12,15H,10-11,13-14,16H2,1-2H3/b17-12-