methyl 3-[4-(2,3-dimethylbutoxy)-3-naphthalen-2-yl-5-nitro-phenyl]propanoate

Systemtic Name: methyl 3-[4-(2,3-dimethylbutoxy)-3-naphthalen-2-yl-5-nitro-phenyl]propanoate Openeye Name: methyl 3-[4-(2,3-dimethylbutoxy)-3-(2-naphthyl)-5-nitro-phenyl]propanoate CAS Name: 3-[4-(2,3-dimethylbutoxy)-3-(2-naphthalenyl)-5-nitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dimethylbutoxy)-3-naphthalen-2-yl-5-nitrophenyl]propanoate Traditional Name: 3-[4-(2,3-dimethylbutoxy)-3-(2-naphthyl)-5-nitro-phenyl]propionic acid methyl ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)COC1=C(C=C(C=C1C2=CC3=CC=CC=C3C=C2)CCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)COC1=C(C=C(C=C1C2=CC3=CC=CC=C3C=C2)CCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H29NO5/c1-17(2)18(3)16-32-26-23(22-11-10-20-7-5-6-8-21(20)15-22)13-19(9-12-25(28)31-4)14-24(26)27(29)30/h5-8,10-11,13-15,17-18H,9,12,16H2,1-4H3