ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O5/c1-2-35-23(32)12-15-30(18-22-9-6-16-36-22)26-24(31(33)34)25(27-19-28-26)29-13-10-21(11-14-29)17-20-7-4-3-5-8-20/h3-9,16,19,21H,2,10-15,17-18H2,1H3