methyl 3-[4-(4-methylcyclohexyl)oxy-3-naphthalen-2-yl-5-nitro-phenyl]propanoate

Systemtic Name: methyl 3-[4-(4-methylcyclohexyl)oxy-3-naphthalen-2-yl-5-nitro-phenyl]propanoate Openeye Name: methyl 3-[4-(4-methylcyclohexoxy)-3-(2-naphthyl)-5-nitro-phenyl]propanoate CAS Name: 3-[4-(4-methylcyclohexyl)oxy-3-(2-naphthalenyl)-5-nitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylcyclohexyl)oxy-3-naphthalen-2-yl-5-nitrophenyl]propanoate Traditional Name: 3-[4-(4-methylcyclohexoxy)-3-(2-naphthyl)-5-nitro-phenyl]propionic acid methyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC2=C(C=C(C=C2C3=CC4=CC=CC=C4C=C3)CCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)OC2=C(C=C(C=C2C3=CC4=CC=CC=C4C=C3)CCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H29NO5/c1-18-7-12-23(13-8-18)33-27-24(22-11-10-20-5-3-4-6-21(20)17-22)15-19(9-14-26(29)32-2)16-25(27)28(30)31/h3-6,10-11,15-18,23H,7-9,12-14H2,1-2H3