ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(4-oxidanylidenecyclohexyl)phenoxy]pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(4-oxidanylidenecyclohexyl)phenoxy]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-[4-(4-ketocyclohexyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C26H28N4O7 MolecularWeight: 508.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4CCC(=O)CC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4CCC(=O)CC4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O7/c1-2-35-23(32)13-14-29(16-22-4-3-15-36-22)25-24(30(33)34)26(28-17-27-25)37-21-11-7-19(8-12-21)18-5-9-20(31)10-6-18/h3-4,7-8,11-12,15,17-18H,2,5-6,9-10,13-14,16H2,1H3