cyclohexanamine; 4-(methylcarbamoyloxy)-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: cyclohexanamine; 4-(methylcarbamoyloxy)-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-(methylcarbamoyloxy)pyrrolidine-2-carboxylic acid; cyclohexanamine CAS Name: cyclohexanamine; 4-(methylcarbamoyloxy)-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexanamine; 4-(methylcarbamoyloxy)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4-(methylcarbamoyloxy)proline; cyclohexylamine Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CNC(=O)OC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C15H18N2O6.C6H13N/c1-16-14(20)23-11-7-12(13(18)19)17(8-11)15(21)22-9-10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6,11-12H,7-9H2,1H3,(H,16,20)(H,18,19);6H,1-5,7H2