ethanedioic acid; 4-[2-[phenethyl-(phenylmethyl)amino]ethyl]benzene-1,2-diol

Systemtic Name: ethanedioic acid; 4-[2-[phenethyl-(phenylmethyl)amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[benzyl(phenethyl)amino]ethyl]benzene-1,2-diol; oxalic acid CAS Name: oxalic acid; 4-[2-[phenethyl-(phenylmethyl)amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[benzyl(phenethyl)amino]ethyl]benzene-1,2-diol; oxalic acid Traditional Name: 4-[2-[benzyl(phenethyl)amino]ethyl]pyrocatechol; oxalic acid Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC2=CC(=C(C=C2)O)O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC2=CC(=C(C=C2)O)O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25NO2.C2H2O4/c25-22-12-11-20(17-23(22)26)14-16-24(18-21-9-5-2-6-10-21)15-13-19-7-3-1-4-8-19;3-1(4)2(5)6/h1-12,17,25-26H,13-16,18H2;(H,3,4)(H,5,6)