N-(2-butanoyl-6-methyl-phenyl)-3-(diethylamino)propanamide; ethanedioic acid

Systemtic Name: N-(2-butanoyl-6-methyl-phenyl)-3-(diethylamino)propanamide; ethanedioic acid Openeye Name: N-(2-butanoyl-6-methyl-phenyl)-3-(diethylamino)propanamide; oxalic acid CAS Name: 3-(diethylamino)-N-[2-methyl-6-(1-oxobutyl)phenyl]propanamide; oxalic acid IUPAC Name: N-(2-butanoyl-6-methylphenyl)-3-(diethylamino)propanamide; oxalic acid Traditional Name: N-(2-butyryl-6-methyl-phenyl)-3-(diethylamino)propionamide; oxalic acid Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=CC=C1)C)NC(=O)CCN(CC)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(=O)C1=C(C(=CC=C1)C)NC(=O)CCN(CC)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O2.C2H2O4/c1-5-9-16(21)15-11-8-10-14(4)18(15)19-17(22)12-13-20(6-2)7-3;3-1(4)2(5)6/h8,10-11H,5-7,9,12-13H2,1-4H3,(H,19,22);(H,3,4)(H,5,6)