ethanedioic acid; 8-[(2-oxidanyl-2-phenyl-ethyl)amino]-2-phenethyl-octanoate

Systemtic Name: ethanedioic acid; 8-[(2-oxidanyl-2-phenyl-ethyl)amino]-2-phenethyl-octanoate Openeye Name: 8-[(2-hydroxy-2-phenyl-ethyl)amino]-2-phenethyl-octanoate; oxalic acid CAS Name: 8-[(2-hydroxy-2-phenylethyl)amino]-2-phenethyloctanoate; oxalic acid IUPAC Name: 8-[(2-hydroxy-2-phenylethyl)amino]-2-phenethyloctanoate; oxalic acid Traditional Name: 8-[(2-hydroxy-2-phenyl-ethyl)amino]-2-phenethyl-caprylate; oxalic acid Formula: C26H34NO7- MolecularWeight: 472.55066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCCCCCNCC(C2=CC=CC=C2)O)C(=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CCCCCCNCC(C2=CC=CC=C2)O)C(=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33NO3.C2H2O4/c26-23(21-13-8-4-9-14-21)19-25-18-10-2-1-7-15-22(24(27)28)17-16-20-11-5-3-6-12-20;3-1(4)2(5)6/h3-6,8-9,11-14,22-23,25-26H,1-2,7,10,15-19H2,(H,27,28);(H,3,4)(H,5,6)/p-1