2-(2,2-dimethyl-4-phenyl-oxan-4-yl)-3-[(phenylmethyl)amino]propan-1-ol; ethanedioic acid

Systemtic Name: 2-(2,2-dimethyl-4-phenyl-oxan-4-yl)-3-[(phenylmethyl)amino]propan-1-ol; ethanedioic acid Openeye Name: 3-(benzylamino)-2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)propan-1-ol; oxalic acid CAS Name: 2-(2,2-dimethyl-4-phenyl-4-oxanyl)-3-[(phenylmethyl)amino]-1-propanol; oxalic acid IUPAC Name: 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol; oxalic acid Traditional Name: 3-(benzylamino)-2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)propan-1-ol; oxalic acid Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(C2=CC=CC=C2)C(CNCC3=CC=CC=C3)CO)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(CC(CCO1)(C2=CC=CC=C2)C(CNCC3=CC=CC=C3)CO)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31NO2.C2H2O4/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19;3-1(4)2(5)6/h3-12,21,24-25H,13-18H2,1-2H3;(H,3,4)(H,5,6)