tert-butyl 4-cyano-2-[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzoate

Systemtic Name: tert-butyl 4-cyano-2-[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzoate Openeye Name: tert-butyl 2-[6-(benzylamino)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoate CAS Name: 4-cyano-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(benzylamino)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxy-4-cyanobenzoate Traditional Name: 2-[6-(benzylamino)-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoic acid tert-butyl ester Formula: C33H31N7O6 MolecularWeight: 621.64254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=CC=CC(=C4)C5=NCCN5C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=CC=CC(=C4)C5=NCCN5C

InChI

InChI=1S/C33H31N7O6/c1-33(2,3)46-31(41)25-14-13-22(19-34)17-26(25)45-30-27(40(42)43)28(36-20-21-9-6-5-7-10-21)37-32(38-30)44-24-12-8-11-23(18-24)29-35-15-16-39(29)4/h5-14,17-18H,15-16,20H2,1-4H3,(H,36,37,38)