ethanedioic acid; 1-[1-(oxolan-2-ylmethyl)-4-(2-phenoxyphenyl)piperidin-4-yl]propan-1-one

Systemtic Name: ethanedioic acid; 1-[1-(oxolan-2-ylmethyl)-4-(2-phenoxyphenyl)piperidin-4-yl]propan-1-one Openeye Name: oxalic acid; 1-[4-(2-phenoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)-4-piperidyl]propan-1-one CAS Name: oxalic acid; 1-[1-(2-oxolanylmethyl)-4-(2-phenoxyphenyl)-4-piperidinyl]-1-propanone IUPAC Name: oxalic acid; 1-[1-(oxolan-2-ylmethyl)-4-(2-phenoxyphenyl)piperidin-4-yl]propan-1-one Traditional Name: oxalic acid; 1-[4-(2-phenoxyphenyl)-1-(tetrahydrofurfuryl)-4-piperidyl]propan-1-one Formula: C27H33NO7 MolecularWeight: 483.55342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)CC2CCCO2)C3=CC=CC=C3OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1(CCN(CC1)CC2CCCO2)C3=CC=CC=C3OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31NO3.C2H2O4/c1-2-24(27)25(14-16-26(17-15-25)19-21-11-8-18-28-21)22-12-6-7-13-23(22)29-20-9-4-3-5-10-20;3-1(4)2(5)6/h3-7,9-10,12-13,21H,2,8,11,14-19H2,1H3;(H,3,4)(H,5,6)