ethanedioic acid; [1-methyl-4-[2-(phenylmethyl)phenyl]piperidin-4-yl] pentanoate

Systemtic Name: ethanedioic acid; [1-methyl-4-[2-(phenylmethyl)phenyl]piperidin-4-yl] pentanoate Openeye Name: [4-(2-benzylphenyl)-1-methyl-4-piperidyl] pentanoate; oxalic acid CAS Name: oxalic acid; pentanoic acid [1-methyl-4-[2-(phenylmethyl)phenyl]-4-piperidinyl] ester IUPAC Name: [4-(2-benzylphenyl)-1-methylpiperidin-4-yl] pentanoate; oxalic acid Traditional Name: oxalic acid; valeric acid [4-(2-benzylphenyl)-1-methyl-4-piperidyl] ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31NO2.C2H2O4/c1-3-4-14-23(26)27-24(15-17-25(2)18-16-24)22-13-9-8-12-21(22)19-20-10-6-5-7-11-20;3-1(4)2(5)6/h5-13H,3-4,14-19H2,1-2H3;(H,3,4)(H,5,6)