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

Systemtic Name: ethanedioic acid; 8-[(2-oxidanyl-2-phenyl-ethyl)amino]-2-(phenylmethyl)octanoate Openeye Name: 2-benzyl-8-[(2-hydroxy-2-phenyl-ethyl)amino]octanoate; oxalic acid CAS Name: 8-[(2-hydroxy-2-phenylethyl)amino]-2-(phenylmethyl)octanoate; oxalic acid IUPAC Name: 2-benzyl-8-[(2-hydroxy-2-phenylethyl)amino]octanoate; oxalic acid Traditional Name: 2-benzyl-8-[(2-hydroxy-2-phenyl-ethyl)amino]caprylate; oxalic acid Formula: C25H32NO7- MolecularWeight: 458.52408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3.C2H2O4/c25-22(20-13-8-4-9-14-20)18-24-16-10-2-1-7-15-21(23(26)27)17-19-11-5-3-6-12-19;3-1(4)2(5)6/h3-6,8-9,11-14,21-22,24-25H,1-2,7,10,15-18H2,(H,26,27);(H,3,4)(H,5,6)/p-1