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

Systemtic Name: 6-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]hexyl 3-oxidanylidenebutanoate Openeye Name: 6-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]hexyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 6-[(Z)-2-methyl-3-[4-(3-pyridinylmethyl)phenyl]prop-2-enoxy]hexyl ester IUPAC Name: 6-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]hexyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 6-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]hexyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO4/c1-21(20-30-14-5-3-4-6-15-31-26(29)17-22(2)28)16-23-9-11-24(12-10-23)18-25-8-7-13-27-19-25/h7-13,16,19H,3-6,14-15,17-18,20H2,1-2H3/b21-16-