2-[4-[3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-1-yl]-1-piperidin-1-yl-ethanone; ethanedioic acid

Systemtic Name: 2-[4-[3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-1-yl]-1-piperidin-1-yl-ethanone; ethanedioic acid Openeye Name: 2-[4-(3-benzhydryloxy-2-hydroxy-propyl)piperazin-1-yl]-1-(1-piperidyl)ethanone; oxalic acid CAS Name: 2-[4-[3-(diphenylmethyl)oxy-2-hydroxypropyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone; oxalic acid IUPAC Name: 2-[4-(3-benzhydryloxy-2-hydroxypropyl)piperazin-1-yl]-1-piperidin-1-ylethanone; oxalic acid Traditional Name: 2-[4-(3-benzhydryloxy-2-hydroxy-propyl)piperazino]-1-piperidino-ethanone; oxalic acid Formula: C29H39N3O7 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H37N3O3.C2H2O4/c31-25(22-33-27(23-10-4-1-5-11-23)24-12-6-2-7-13-24)20-28-16-18-29(19-17-28)21-26(32)30-14-8-3-9-15-30;3-1(4)2(5)6/h1-2,4-7,10-13,25,27,31H,3,8-9,14-22H2;(H,3,4)(H,5,6)