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

Systemtic Name: ethanedioic acid; [1-[(3-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-(m-tolylmethyl)-3-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(3-methylphenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(3-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(3-methylbenzyl)-3-piperidyl]-piperidino-methanone; oxalic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O.C2H2O4/c1-16-7-5-8-17(13-16)14-20-10-6-9-18(15-20)19(22)21-11-3-2-4-12-21;3-1(4)2(5)6/h5,7-8,13,18H,2-4,6,9-12,14-15H2,1H3;(H,3,4)(H,5,6)