azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid

Systemtic Name: azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: azepan-1-yl-[1-(o-tolylmethyl)-3-piperidyl]methanone; oxalic acid CAS Name: 1-azepanyl-[1-[(2-methylphenyl)methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: azepan-1-yl-[1-(2-methylbenzyl)-3-piperidyl]methanone; oxalic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O.C2H2O4/c1-17-9-4-5-10-18(17)15-21-12-8-11-19(16-21)20(23)22-13-6-2-3-7-14-22;3-1(4)2(5)6/h4-5,9-10,19H,2-3,6-8,11-16H2,1H3;(H,3,4)(H,5,6)