ethyl 1-cyclohexyl-2-methyl-5-[2-nitro-4-(phenylcarbonyl)phenoxy]indole-3-carboxylate

Systemtic Name: ethyl 1-cyclohexyl-2-methyl-5-[2-nitro-4-(phenylcarbonyl)phenoxy]indole-3-carboxylate Openeye Name: ethyl 5-(4-benzoyl-2-nitro-phenoxy)-1-cyclohexyl-2-methyl-indole-3-carboxylate CAS Name: 5-(4-benzoyl-2-nitrophenoxy)-1-cyclohexyl-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-benzoyl-2-nitrophenoxy)-1-cyclohexyl-2-methylindole-3-carboxylate Traditional Name: 5-(4-benzoyl-2-nitro-phenoxy)-1-cyclohexyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C31H30N2O6 MolecularWeight: 526.5797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5CCCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5CCCCC5)C

InChI

InChI=1S/C31H30N2O6/c1-3-38-31(35)29-20(2)32(23-12-8-5-9-13-23)26-16-15-24(19-25(26)29)39-28-17-14-22(18-27(28)33(36)37)30(34)21-10-6-4-7-11-21/h4,6-7,10-11,14-19,23H,3,5,8-9,12-13H2,1-2H3