tert-butyl 2-[[6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[4-(2-methoxyphenyl)-1-piperidyl]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(2-methoxyphenyl)-1-piperidinyl]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[4-(2-methoxyphenyl)piperidino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C23H31N5O5/c1-23(2,3)33-19(29)14-26(4)21-20(28(30)31)22(25-15-24-21)27-12-10-16(11-13-27)17-8-6-7-9-18(17)32-5/h6-9,15-16H,10-14H2,1-5H3