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

Systemtic Name: 5-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]pentyl 3-oxidanylidenebutanoate Openeye Name: 5-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]pentyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 5-[(Z)-2-methyl-3-[4-(3-pyridinylmethyl)phenyl]prop-2-enoxy]pentyl ester IUPAC Name: 5-[(Z)-2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoxy]pentyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 5-[(Z)-2-methyl-3-[4-(3-pyridylmethyl)phenyl]allyloxy]pentyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-20(19-29-13-4-3-5-14-30-25(28)16-21(2)27)15-22-8-10-23(11-9-22)17-24-7-6-12-26-18-24/h6-12,15,18H,3-5,13-14,16-17,19H2,1-2H3/b20-15-