(phenylmethyl) 4-[(E)-3-oxidanylidene-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate

Systemtic Name: (phenylmethyl) 4-[(E)-3-oxidanylidene-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate Openeye Name: benzyl 4-[(E)-3-oxo-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-(2-pyrimidinylamino)prop-1-enyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-3-oxo-3-(pyrimidin-2-ylamino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(2-pyrimidylamino)prop-1-enyl]benzoic acid benzyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=NC=CC=N3

InChI

InChI=1S/C21H17N3O3/c25-19(24-21-22-13-4-14-23-21)12-9-16-7-10-18(11-8-16)20(26)27-15-17-5-2-1-3-6-17/h1-14H,15H2,(H,22,23,24,25)/b12-9+