ethanedioic acid; 4-[1-oxidanyl-2-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]phenol

Systemtic Name: ethanedioic acid; 4-[1-oxidanyl-2-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]phenol Openeye Name: 4-[2-[(1-benzyl-4-piperidyl)amino]-1-hydroxy-propyl]phenol; oxalic acid CAS Name: 4-[1-hydroxy-2-[[1-(phenylmethyl)-4-piperidinyl]amino]propyl]phenol; oxalic acid IUPAC Name: 4-[2-[(1-benzylpiperidin-4-yl)amino]-1-hydroxypropyl]phenol; oxalic acid Traditional Name: 4-[2-[(1-benzyl-4-piperidyl)amino]-1-hydroxy-propyl]phenol; oxalic acid Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(C1=CC=C(C=C1)O)O)NC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O2.C2H2O4/c1-16(21(25)18-7-9-20(24)10-8-18)22-19-11-13-23(14-12-19)15-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-10,16,19,21-22,24-25H,11-15H2,1H3;(H,3,4)(H,5,6)