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

Systemtic Name: ethyl 4-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]butanoate Openeye Name: ethyl 4-[4-[(E)-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]butanoate CAS Name: 4-[4-[(E)-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]butanoate Traditional Name: 4-[4-[(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=C(C=C1)C=CC(=O)NCC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-2-26-21(25)6-4-14-27-19-10-7-17(8-11-19)9-12-20(24)23-16-18-5-3-13-22-15-18/h3,5,7-13,15H,2,4,6,14,16H2,1H3,(H,23,24)/b12-9+