N-cyclohexylcyclohexanamine; 3-[2-(3-fluorophenyl)ethyl-phenylmethoxycarbonyl-amino]propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 3-[2-(3-fluorophenyl)ethyl-phenylmethoxycarbonyl-amino]propanoic acid Openeye Name: 3-[benzyloxycarbonyl-[2-(3-fluorophenyl)ethyl]amino]propanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; 3-[2-(3-fluorophenyl)ethyl-phenylmethoxycarbonylamino]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 3-[2-(3-fluorophenyl)ethyl-phenylmethoxycarbonylamino]propanoic acid Traditional Name: 3-[carbobenzoxy-[2-(3-fluorophenyl)ethyl]amino]propionic acid; dicyclohexylamine Formula: C31H43FN2O4 MolecularWeight: 526.682523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)COC(=O)N(CCC2=CC(=CC=C2)F)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)COC(=O)N(CCC2=CC(=CC=C2)F)CCC(=O)O

InChI

InChI=1S/C19H20FNO4.C12H23N/c20-17-8-4-7-15(13-17)9-11-21(12-10-18(22)23)19(24)25-14-16-5-2-1-3-6-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8,13H,9-12,14H2,(H,22,23);11-13H,1-10H2