N-(1-cyanocyclohexyl)-2-[(phenylmethyl)amino]propanamide; ethanedioic acid

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(phenylmethyl)amino]propanamide; ethanedioic acid Openeye Name: 2-(benzylamino)-N-(1-cyanocyclohexyl)propanamide; oxalic acid CAS Name: N-(1-cyanocyclohexyl)-2-[(phenylmethyl)amino]propanamide; oxalic acid IUPAC Name: 2-(benzylamino)-N-(1-cyanocyclohexyl)propanamide; oxalic acid Traditional Name: 2-(benzylamino)-N-(1-cyanocyclohexyl)propionamide; oxalic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)NCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)NCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O.C2H2O4/c1-14(19-12-15-8-4-2-5-9-15)16(21)20-17(13-18)10-6-3-7-11-17;3-1(4)2(5)6/h2,4-5,8-9,14,19H,3,6-7,10-12H2,1H3,(H,20,21);(H,3,4)(H,5,6)