[4-(azepan-1-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-(azepan-1-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-(azepan-1-yl)-1-piperidyl]-(3,5-dimethoxyphenyl)methanone; oxalic acid CAS Name: [4-(1-azepanyl)-1-piperidinyl]-(3,5-dimethoxyphenyl)methanone; oxalic acid IUPAC Name: [4-(azepan-1-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone; oxalic acid Traditional Name: [4-(azepan-1-yl)piperidino]-(3,5-dimethoxyphenyl)methanone; oxalic acid Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)N3CCCCCC3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)N3CCCCCC3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-24-18-13-16(14-19(15-18)25-2)20(23)22-11-7-17(8-12-22)21-9-5-3-4-6-10-21;3-1(4)2(5)6/h13-15,17H,3-12H2,1-2H3;(H,3,4)(H,5,6)