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

Systemtic Name: ethyl 2-(diethylaminomethyl)-1-(4-methoxyphenyl)-5-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)oxy-indole-3-carboxylate Openeye Name: ethyl 2-(diethylaminomethyl)-1-(4-methoxyphenyl)-5-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]oxy-indole-3-carboxylate CAS Name: 2-(diethylaminomethyl)-1-(4-methoxyphenyl)-5-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]oxy]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(diethylaminomethyl)-1-(4-methoxyphenyl)-5-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)oxyindole-3-carboxylate Traditional Name: 2-(diethylaminomethyl)-1-(4-methoxyphenyl)-5-(5-nitro-6-piperidino-pyrimidin-4-yl)oxy-indole-3-carboxylic acid ethyl ester Formula: C32H38N6O6 MolecularWeight: 602.68072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC4=NC=NC(=C4[N+](=O)[O-])N5CCCCC5)C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC4=NC=NC(=C4[N+](=O)[O-])N5CCCCC5)C(=O)OCC

InChI

InChI=1S/C32H38N6O6/c1-5-35(6-2)20-27-28(32(39)43-7-3)25-19-24(15-16-26(25)37(27)22-11-13-23(42-4)14-12-22)44-31-29(38(40)41)30(33-21-34-31)36-17-9-8-10-18-36/h11-16,19,21H,5-10,17-18,20H2,1-4H3