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

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)oxy-indole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]oxy-1-(p-tolyl)indole-3-carboxylate CAS Name: 2-methyl-1-(4-methylphenyl)-5-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]oxy]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-(4-methylphenyl)-5-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)oxyindole-3-carboxylate Traditional Name: 2-methyl-5-(5-nitro-6-piperidino-pyrimidin-4-yl)oxy-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C28H29N5O5 MolecularWeight: 515.56036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C28H29N5O5/c1-4-37-28(34)24-19(3)32(20-10-8-18(2)9-11-20)23-13-12-21(16-22(23)24)38-27-25(33(35)36)26(29-17-30-27)31-14-6-5-7-15-31/h8-13,16-17H,4-7,14-15H2,1-3H3