2-(diphenylmethyl)piperidin-3-ol; 2-phenylbutanedioate

Systemtic Name: 2-(diphenylmethyl)piperidin-3-ol; 2-phenylbutanedioate Openeye Name: 2-benzhydrylpiperidin-3-ol; 2-phenylbutanedioate CAS Name: 2-(diphenylmethyl)-3-piperidinol; 2-phenylbutanedioate IUPAC Name: 2-benzhydrylpiperidin-3-ol; 2-phenylbutanedioate Traditional Name: 2-benzhydrylpiperidin-3-ol; 2-phenylsuccinate Formula: C46H50N2O6-2 MolecularWeight: 726.899

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O.C1CC(C(NC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC(C(NC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O.C1CC(C(NC1)C(C2=CC=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C18H21NO.C10H10O4/c2*20-16-12-7-13-19-18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h2*1-6,8-11,16-20H,7,12-13H2;1-5,8H,6H2,(H,11,12)(H,13,14)/p-2