butyl 2-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]ethanoate

Systemtic Name: butyl 2-[4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]ethanoate Openeye Name: butyl 2-[4-[(E)-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenoxy]acetic acid butyl ester IUPAC Name: butyl 2-[4-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]acetic acid butyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=CC=C(C=C1)C=CC(=O)NCC2=CN=CC=C2

Isomeric SMILES

CCCCOC(=O)COC1=CC=C(C=C1)/C=C/C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C21H24N2O4/c1-2-3-13-26-21(25)16-27-19-9-6-17(7-10-19)8-11-20(24)23-15-18-5-4-12-22-14-18/h4-12,14H,2-3,13,15-16H2,1H3,(H,23,24)/b11-8+