methyl 3-[4-cyclohexyloxy-3-(1-ethylindol-5-yl)-5-nitro-phenyl]propanoate

Systemtic Name: methyl 3-[4-cyclohexyloxy-3-(1-ethylindol-5-yl)-5-nitro-phenyl]propanoate Openeye Name: methyl 3-[4-(cyclohexoxy)-3-(1-ethylindol-5-yl)-5-nitro-phenyl]propanoate CAS Name: 3-[4-cyclohexyloxy-3-(1-ethyl-5-indolyl)-5-nitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-cyclohexyloxy-3-(1-ethylindol-5-yl)-5-nitrophenyl]propanoate Traditional Name: 3-[4-(cyclohexoxy)-3-(1-ethylindol-5-yl)-5-nitro-phenyl]propionic acid methyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)C3=CC(=CC(=C3OC4CCCCC4)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)C3=CC(=CC(=C3OC4CCCCC4)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C26H30N2O5/c1-3-27-14-13-20-17-19(10-11-23(20)27)22-15-18(9-12-25(29)32-2)16-24(28(30)31)26(22)33-21-7-5-4-6-8-21/h10-11,13-17,21H,3-9,12H2,1-2H3