[4-(azepan-1-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-(azepan-1-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-(azepan-1-yl)-1-piperidyl]-(2-methoxyphenyl)methanone; oxalic acid CAS Name: [4-(1-azepanyl)-1-piperidinyl]-(2-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-(azepan-1-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(azepan-1-yl)piperidino]-(2-methoxyphenyl)methanone; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-23-18-9-5-4-8-17(18)19(22)21-14-10-16(11-15-21)20-12-6-2-3-7-13-20;3-1(4)2(5)6/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3;(H,3,4)(H,5,6)