ethyl 5-(6-cyclohexyl-5-nitro-pyrimidin-4-yl)oxy-2-methyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-(6-cyclohexyl-5-nitro-pyrimidin-4-yl)oxy-2-methyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-(6-cyclohexyl-5-nitro-pyrimidin-4-yl)oxy-2-methyl-1-phenyl-indole-3-carboxylate CAS Name: 5-[(6-cyclohexyl-5-nitro-4-pyrimidinyl)oxy]-2-methyl-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(6-cyclohexyl-5-nitropyrimidin-4-yl)oxy-2-methyl-1-phenylindole-3-carboxylate Traditional Name: 5-(6-cyclohexyl-5-nitro-pyrimidin-4-yl)oxy-2-methyl-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])C4CCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])C4CCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H28N4O5/c1-3-36-28(33)24-18(2)31(20-12-8-5-9-13-20)23-15-14-21(16-22(23)24)37-27-26(32(34)35)25(29-17-30-27)19-10-6-4-7-11-19/h5,8-9,12-17,19H,3-4,6-7,10-11H2,1-2H3