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

Systemtic Name: 4-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butyl 3-oxidanylidenebutanoate Openeye Name: 4-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]butyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 4-[(Z)-2-methyl-3-[4-(3-pyridinylmethyl)phenyl]prop-2-enoxy]butyl ester IUPAC Name: 4-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]butyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 4-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]butyl ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4/c1-19(18-28-12-3-4-13-29-24(27)15-20(2)26)14-21-7-9-22(10-8-21)16-23-6-5-11-25-17-23/h5-11,14,17H,3-4,12-13,15-16,18H2,1-2H3/b19-14-