1-(butoxycarbonylamino)-4-methyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid; 2-phenylcyclohexan-1-one

Systemtic Name: 1-(butoxycarbonylamino)-4-methyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid; 2-phenylcyclohexan-1-one Openeye Name: 1-(butoxycarbonylamino)-4-methyl-5-oxo-pyrrolidine-2-carboxylic acid; 2-phenylcyclohexanone CAS Name: 1-[[butoxy(oxo)methyl]amino]-4-methyl-5-oxo-2-pyrrolidinecarboxylic acid; 2-phenyl-1-cyclohexanone IUPAC Name: 1-(butoxycarbonylamino)-4-methyl-5-oxopyrrolidine-2-carboxylic acid; 2-phenylcyclohexan-1-one Traditional Name: 1-(butoxycarbonylamino)-5-keto-4-methyl-proline; 2-phenylcyclohexanone Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NN1C(CC(C1=O)C)C(=O)O.C1CCC(=O)C(C1)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)NN1C(CC(C1=O)C)C(=O)O.C1CCC(=O)C(C1)C2=CC=CC=C2

InChI

InChI=1S/C12H14O.C11H18N2O5/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-4-5-18-11(17)12-13-8(10(15)16)6-7(2)9(13)14/h1-3,6-7,11H,4-5,8-9H2;7-8H,3-6H2,1-2H3,(H,12,17)(H,15,16)