1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol; oxalic acid CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)-2-propanol; oxalic acid IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol; oxalic acid Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol; oxalic acid Formula: C27H40N2O6 MolecularWeight: 488.6163

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H38N2O2.C2H2O4/c1-26-7-2-8-27(10-9-26)17-23(28)18-29-24-5-3-22(4-6-24)25-14-19-11-20(15-25)13-21(12-19)16-25;3-1(4)2(5)6/h3-6,19-21,23,28H,2,7-18H2,1H3;(H,3,4)(H,5,6)