cyclopentyl-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]methanone; ethanedioic acid

Systemtic Name: cyclopentyl-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]methanone; ethanedioic acid Openeye Name: cyclopentyl-[4-[[4-(1-piperidylmethyl)phenyl]methoxy]phenyl]methanone; oxalic acid CAS Name: cyclopentyl-[4-[[4-(1-piperidinylmethyl)phenyl]methoxy]phenyl]methanone; oxalic acid IUPAC Name: cyclopentyl-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]methanone; oxalic acid Traditional Name: cyclopentyl-[4-[4-(piperidinomethyl)benzyl]oxyphenyl]methanone; oxalic acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)C(=O)C4CCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)C(=O)C4CCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31NO2.C2H2O4/c27-25(22-6-2-3-7-22)23-12-14-24(15-13-23)28-19-21-10-8-20(9-11-21)18-26-16-4-1-5-17-26;3-1(4)2(5)6/h8-15,22H,1-7,16-19H2;(H,3,4)(H,5,6)