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

Systemtic Name: cyclohexanamine; 4,4-diethoxy-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4,4-diethoxy-pyrrolidine-2-carboxylic acid; cyclohexanamine CAS Name: cyclohexanamine; 4,4-diethoxy-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexanamine; 4,4-diethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4,4-diethoxy-proline; cyclohexylamine Formula: C23H36N2O6 MolecularWeight: 436.54174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O)OCC.C1CCC(CC1)N

Isomeric SMILES

CCOC1(CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O)OCC.C1CCC(CC1)N

InChI

InChI=1S/C17H23NO6.C6H13N/c1-3-23-17(24-4-2)10-14(15(19)20)18(12-17)16(21)22-11-13-8-6-5-7-9-13;7-6-4-2-1-3-5-6/h5-9,14H,3-4,10-12H2,1-2H3,(H,19,20);6H,1-5,7H2