ethyl 4-[3-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]butanoate

Systemtic Name: ethyl 4-[3-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]butanoate Openeye Name: ethyl 4-[3-[(E)-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]butanoate CAS Name: 4-[3-[(E)-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]butanoate Traditional Name: 4-[3-[(E)-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]butyric acid ethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC(=C1)C=CC(=O)NCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC(=C1)/C=C/C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C21H24N2O4/c1-2-26-21(25)9-5-13-27-19-8-3-6-17(14-19)10-11-20(24)23-16-18-7-4-12-22-15-18/h3-4,6-8,10-12,14-15H,2,5,9,13,16H2,1H3,(H,23,24)/b11-10+