5-(1-adamantyl)-3-[[bis(phenylmethyl)amino]methyl]benzene-1,2-diol

Systemtic Name: 5-(1-adamantyl)-3-[[bis(phenylmethyl)amino]methyl]benzene-1,2-diol Openeye Name: 5-(1-adamantyl)-3-[(dibenzylamino)methyl]benzene-1,2-diol CAS Name: 5-(1-adamantyl)-3-[[bis(phenylmethyl)amino]methyl]benzene-1,2-diol IUPAC Name: 5-(1-adamantyl)-3-[(dibenzylamino)methyl]benzene-1,2-diol Traditional Name: 5-(1-adamantyl)-3-[(dibenzylamino)methyl]pyrocatechol Formula: C31H35NO2 MolecularWeight: 453.6151

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)O)O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)O)O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H35NO2/c33-29-15-28(31-16-24-11-25(17-31)13-26(12-24)18-31)14-27(30(29)34)21-32(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-10,14-15,24-26,33-34H,11-13,16-21H2