ethanedioic acid; [1-[(4-ethylphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(4-ethylphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(4-ethylphenyl)methyl]-3-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(4-ethylphenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(4-ethylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(4-ethylbenzyl)-3-piperidyl]-piperidino-methanone; oxalic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O.C2H2O4/c1-2-17-8-10-18(11-9-17)15-21-12-6-7-19(16-21)20(23)22-13-4-3-5-14-22;3-1(4)2(5)6/h8-11,19H,2-7,12-16H2,1H3;(H,3,4)(H,5,6)