1-[4-(azepan-1-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-(azepan-1-yl)-1-piperidyl]-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-(1-azepanyl)-1-piperidinyl]-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-(azepan-1-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(azepan-1-yl)piperidino]-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O2.C2H2O4/c1-17-7-6-8-19(15-17)24-16-20(23)22-13-9-18(10-14-22)21-11-4-2-3-5-12-21;3-1(4)2(5)6/h6-8,15,18H,2-5,9-14,16H2,1H3;(H,3,4)(H,5,6)