methyl 3-[5-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]furan-2-yl]propanoate

Systemtic Name: methyl 3-[5-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]furan-2-yl]propanoate Openeye Name: methyl 3-[5-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]-2-furyl]propanoate CAS Name: 3-[5-[(E)-3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]prop-1-enyl]-2-furanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]furan-2-yl]propanoate Traditional Name: 3-[5-[(E)-3-keto-3-[4-(2-pyrimidyl)piperazino]prop-1-enyl]-2-furyl]propionic acid methyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(O1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)CCC1=CC=C(O1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H22N4O4/c1-26-18(25)8-6-16-4-3-15(27-16)5-7-17(24)22-11-13-23(14-12-22)19-20-9-2-10-21-19/h2-5,7,9-10H,6,8,11-14H2,1H3/b7-5+