bis(4-methoxyphenyl) ethanedioate; [1-(phenylmethyl)piperidin-4-yl]methanol; hydrate

Systemtic Name: bis(4-methoxyphenyl) ethanedioate; [1-(phenylmethyl)piperidin-4-yl]methanol; hydrate Openeye Name: (1-benzyl-4-piperidyl)methanol; bis(4-methoxyphenyl) oxalate; hydrate CAS Name: oxalic acid bis(4-methoxyphenyl) ester; [1-(phenylmethyl)-4-piperidinyl]methanol; hydrate IUPAC Name: (1-benzylpiperidin-4-yl)methanol; bis(4-methoxyphenyl) oxalate; hydrate Traditional Name: (1-benzyl-4-piperidyl)methanol; oxalic acid bis(4-methoxyphenyl) ester; hydrate Formula: C29H35NO8 MolecularWeight: 525.5901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=C(C=C2)OC.C1CN(CCC1CO)CC2=CC=CC=C2.O

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C(=O)OC2=CC=C(C=C2)OC.C1CN(CCC1CO)CC2=CC=CC=C2.O

InChI

InChI=1S/C16H14O6.C13H19NO.H2O/c1-19-11-3-7-13(8-4-11)21-15(17)16(18)22-14-9-5-12(20-2)6-10-14;15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12;/h3-10H,1-2H3;1-5,13,15H,6-11H2;1H2