cyclohexanamine; 4,4-dimethoxy-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: cyclohexanamine; 4,4-dimethoxy-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4,4-dimethoxy-pyrrolidine-2-carboxylic acid; cyclohexanamine CAS Name: cyclohexanamine; 4,4-dimethoxy-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexanamine; 4,4-dimethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4,4-dimethoxy-proline; cyclohexylamine Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O)OC.C1CCC(CC1)N

Isomeric SMILES

COC1(CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O)OC.C1CCC(CC1)N

InChI

InChI=1S/C15H19NO6.C6H13N/c1-20-15(21-2)8-12(13(17)18)16(10-15)14(19)22-9-11-6-4-3-5-7-11;7-6-4-2-1-3-5-6/h3-7,12H,8-10H2,1-2H3,(H,17,18);6H,1-5,7H2