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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O.C2H2O4/c1-17-8-6-9-18(14-17)15-21-11-7-10-19(16-21)20(23)22-12-4-2-3-5-13-22;3-1(4)2(5)6/h6,8-9,14,19H,2-5,7,10-13,15-16H2,1H3;(H,3,4)(H,5,6)