N-(1-cyanocyclopentyl)-2-[(4-ethoxyphenyl)methyl-methyl-amino]ethanamide; ethanedioic acid

Systemtic Name: N-(1-cyanocyclopentyl)-2-[(4-ethoxyphenyl)methyl-methyl-amino]ethanamide; ethanedioic acid Openeye Name: N-(1-cyanocyclopentyl)-2-[(4-ethoxyphenyl)methyl-methyl-amino]acetamide; oxalic acid CAS Name: N-(1-cyanocyclopentyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide; oxalic acid IUPAC Name: N-(1-cyanocyclopentyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide; oxalic acid Traditional Name: N-(1-cyanocyclopentyl)-2-[(4-ethoxybenzyl)-methyl-amino]acetamide; oxalic acid Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CC(=O)NC2(CCCC2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CC(=O)NC2(CCCC2)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3O2.C2H2O4/c1-3-23-16-8-6-15(7-9-16)12-21(2)13-17(22)20-18(14-19)10-4-5-11-18;3-1(4)2(5)6/h6-9H,3-5,10-13H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)