1-cyclohexylpyrrolidin-2-one; 3,4-diethylphthalic acid

Systemtic Name: 1-cyclohexylpyrrolidin-2-one; 3,4-diethylphthalic acid Openeye Name: 1-cyclohexylpyrrolidin-2-one; 3,4-diethylphthalic acid CAS Name: 1-cyclohexyl-2-pyrrolidinone; 3,4-diethylphthalic acid IUPAC Name: 1-cyclohexylpyrrolidin-2-one; 3,4-diethylphthalic acid Traditional Name: 1-cyclohexyl-2-pyrrolidone; 3,4-diethylphthalic acid Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC.C1CCC(CC1)N2CCCC2=O

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC.C1CCC(CC1)N2CCCC2=O

InChI

InChI=1S/C12H14O4.C10H17NO/c1-3-7-5-6-9(11(13)14)10(12(15)16)8(7)4-2;12-10-7-4-8-11(10)9-5-2-1-3-6-9/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16);9H,1-8H2