ethanedioic acid; 8-[(2-oxidanyl-2-phenyl-ethyl)amino]-2-(3-phenylpropyl)octanoate

Systemtic Name: ethanedioic acid; 8-[(2-oxidanyl-2-phenyl-ethyl)amino]-2-(3-phenylpropyl)octanoate Openeye Name: 8-[(2-hydroxy-2-phenyl-ethyl)amino]-2-(3-phenylpropyl)octanoate; oxalic acid CAS Name: 8-[(2-hydroxy-2-phenylethyl)amino]-2-(3-phenylpropyl)octanoate; oxalic acid IUPAC Name: 8-[(2-hydroxy-2-phenylethyl)amino]-2-(3-phenylpropyl)octanoate; oxalic acid Traditional Name: 8-[(2-hydroxy-2-phenyl-ethyl)amino]-2-(3-phenylpropyl)caprylate; oxalic acid Formula: C27H36NO7- MolecularWeight: 486.57724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3.C2H2O4/c27-24(22-15-8-4-9-16-22)20-26-19-10-2-1-7-17-23(25(28)29)18-11-14-21-12-5-3-6-13-21;3-1(4)2(5)6/h3-6,8-9,12-13,15-16,23-24,26-27H,1-2,7,10-11,14,17-20H2,(H,28,29);(H,3,4)(H,5,6)/p-1