2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide; (phenylmethyl) benzoate; hydrate

Systemtic Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide; (phenylmethyl) benzoate; hydrate Openeye Name: benzyl benzoate; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; hydrate CAS Name: benzoic acid (phenylmethyl) ester; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; hydrate IUPAC Name: benzyl benzoate; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; hydrate Traditional Name: benzoic acid benzyl ester; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; hydrate Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2.O

Isomeric SMILES

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2.O

InChI

InChI=1S/C14H22N2O.C14H12O2.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1-10H,11H2;1H2