ethanedioic acid; [2-[6-[(2-oxidanyl-2-phenyl-ethyl)amino]hexyl]phenyl] ethanoate

Systemtic Name: ethanedioic acid; [2-[6-[(2-oxidanyl-2-phenyl-ethyl)amino]hexyl]phenyl] ethanoate Openeye Name: [2-[6-[(2-hydroxy-2-phenyl-ethyl)amino]hexyl]phenyl] acetate; oxalic acid CAS Name: acetic acid [2-[6-[(2-hydroxy-2-phenylethyl)amino]hexyl]phenyl] ester; oxalic acid IUPAC Name: [2-[6-[(2-hydroxy-2-phenylethyl)amino]hexyl]phenyl] acetate; oxalic acid Traditional Name: acetic acid [2-[6-[(2-hydroxy-2-phenyl-ethyl)amino]hexyl]phenyl] ester; oxalic acid Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1CCCCCCNCC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1CCCCCCNCC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29NO3.C2H2O4/c1-18(24)26-22-15-9-8-14-20(22)13-5-2-3-10-16-23-17-21(25)19-11-6-4-7-12-19;3-1(4)2(5)6/h4,6-9,11-12,14-15,21,23,25H,2-3,5,10,13,16-17H2,1H3;(H,3,4)(H,5,6)