N-aminocarbonyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-butanamide; ethanedioic acid

Systemtic Name: N-aminocarbonyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-butanamide; ethanedioic acid Openeye Name: N-carbamoyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-butanamide; oxalic acid CAS Name: N-carbamoyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanamide; oxalic acid IUPAC Name: N-carbamoyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanamide; oxalic acid Traditional Name: N-carbamoyl-2-(homoveratrylamino)-3-methyl-butyramide; oxalic acid Formula: C18H27N3O8 MolecularWeight: 413.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)NCCC1=CC(=C(C=C1)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)NCCC1=CC(=C(C=C1)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O4.C2H2O4/c1-10(2)14(15(20)19-16(17)21)18-8-7-11-5-6-12(22-3)13(9-11)23-4;3-1(4)2(5)6/h5-6,9-10,14,18H,7-8H2,1-4H3,(H3,17,19,20,21);(H,3,4)(H,5,6)