ethanedioic acid; N-[(3-nitro-4-piperidin-1-yl-phenyl)methyl]-2-phenyl-ethanamine

Systemtic Name: ethanedioic acid; N-[(3-nitro-4-piperidin-1-yl-phenyl)methyl]-2-phenyl-ethanamine Openeye Name: N-[[3-nitro-4-(1-piperidyl)phenyl]methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[[3-nitro-4-(1-piperidinyl)phenyl]methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(3-nitro-4-piperidin-1-ylphenyl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (3-nitro-4-piperidino-benzyl)-phenethyl-amine; oxalic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)CNCCC3=CC=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)CNCCC3=CC=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O2.C2H2O4/c24-23(25)20-15-18(9-10-19(20)22-13-5-2-6-14-22)16-21-12-11-17-7-3-1-4-8-17;3-1(4)2(5)6/h1,3-4,7-10,15,21H,2,5-6,11-14,16H2;(H,3,4)(H,5,6)