ethanedioic acid; 4-[2-[(3-naphthalen-2-yloxy-2-oxidanyl-propyl)amino]-1-oxidanyl-propyl]phenol

Systemtic Name: ethanedioic acid; 4-[2-[(3-naphthalen-2-yloxy-2-oxidanyl-propyl)amino]-1-oxidanyl-propyl]phenol Openeye Name: 4-[1-hydroxy-2-[[2-hydroxy-3-(2-naphthyloxy)propyl]amino]propyl]phenol; oxalic acid CAS Name: 4-[1-hydroxy-2-[[2-hydroxy-3-(2-naphthalenyloxy)propyl]amino]propyl]phenol; oxalic acid IUPAC Name: 4-[1-hydroxy-2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]propyl]phenol; oxalic acid Traditional Name: 4-[1-hydroxy-2-[[2-hydroxy-3-(2-naphthoxy)propyl]amino]propyl]phenol; oxalic acid Formula: C24H27NO8 MolecularWeight: 457.47308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NCC(COC2=CC3=CC=CC=C3C=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(C1=CC=C(C=C1)O)O)NCC(COC2=CC3=CC=CC=C3C=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25NO4.C2H2O4/c1-15(22(26)17-6-9-19(24)10-7-17)23-13-20(25)14-27-21-11-8-16-4-2-3-5-18(16)12-21;3-1(4)2(5)6/h2-12,15,20,22-26H,13-14H2,1H3;(H,3,4)(H,5,6)