ethanedioic acid; (3-methoxy-4-nitro-phenyl)-[4-[methyl(phenethyl)amino]piperidin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-methoxy-4-nitro-phenyl)-[4-[methyl(phenethyl)amino]piperidin-1-yl]methanone Openeye Name: (3-methoxy-4-nitro-phenyl)-[4-[methyl(phenethyl)amino]-1-piperidyl]methanone; oxalic acid CAS Name: (3-methoxy-4-nitrophenyl)-[4-[methyl(phenethyl)amino]-1-piperidinyl]methanone; oxalic acid IUPAC Name: (3-methoxy-4-nitrophenyl)-[4-[methyl(phenethyl)amino]piperidin-1-yl]methanone; oxalic acid Traditional Name: (3-methoxy-4-nitro-phenyl)-[4-[methyl(phenethyl)amino]piperidino]methanone; oxalic acid Formula: C24H29N3O8 MolecularWeight: 487.50236

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O4.C2H2O4/c1-23(13-10-17-6-4-3-5-7-17)19-11-14-24(15-12-19)22(26)18-8-9-20(25(27)28)21(16-18)29-2;3-1(4)2(5)6/h3-9,16,19H,10-15H2,1-2H3;(H,3,4)(H,5,6)