(5S,7R)-3-[(3-methoxy-2-phenylmethoxy-phenyl)methylamino]adamantan-1-ol

Systemtic Name: (5S,7R)-3-[(3-methoxy-2-phenylmethoxy-phenyl)methylamino]adamantan-1-ol Openeye Name: (5S,7R)-3-[(2-benzyloxy-3-methoxy-phenyl)methylamino]adamantan-1-ol CAS Name: (5S,7R)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-1-adamantanol IUPAC Name: (5S,7R)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]adamantan-1-ol Traditional Name: (5S,7R)-3-[(2-benzoxy-3-methoxy-benzyl)amino]adamantan-1-ol Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)CNC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)CNC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C25H31NO3/c1-28-22-9-5-8-21(23(22)29-16-18-6-3-2-4-7-18)15-26-24-11-19-10-20(12-24)14-25(27,13-19)17-24/h2-9,19-20,26-27H,10-17H2,1H3/t19-,20+,24?,25?