2-[1-(nitromethyl)cyclohexyl]-3,3-diphenyl-propanoic acid

Systemtic Name: 2-[1-(nitromethyl)cyclohexyl]-3,3-diphenyl-propanoic acid Openeye Name: 2-[1-(nitromethyl)cyclohexyl]-3,3-diphenyl-propanoic acid CAS Name: 2-[1-(nitromethyl)cyclohexyl]-3,3-diphenylpropanoic acid IUPAC Name: 2-[1-(nitromethyl)cyclohexyl]-3,3-diphenylpropanoic acid Traditional Name: 2-[1-(nitromethyl)cyclohexyl]-3,3-diphenyl-propionic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[N+](=O)[O-])C(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)(C[N+](=O)[O-])C(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25NO4/c24-21(25)20(22(16-23(26)27)14-8-3-9-15-22)19(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19-20H,3,8-9,14-16H2,(H,24,25)