2-[(1-adamantylamino)methyl]-4-(1,3-benzodioxol-5-yl)phenol

Systemtic Name: 2-[(1-adamantylamino)methyl]-4-(1,3-benzodioxol-5-yl)phenol Openeye Name: 2-[(1-adamantylamino)methyl]-4-(1,3-benzodioxol-5-yl)phenol CAS Name: 2-[(1-adamantylamino)methyl]-4-(1,3-benzodioxol-5-yl)phenol IUPAC Name: 2-[(1-adamantylamino)methyl]-4-(1,3-benzodioxol-5-yl)phenol Traditional Name: 2-[(1-adamantylamino)methyl]-4-(1,3-benzodioxol-5-yl)phenol Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=C(C=CC(=C4)C5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=C(C=CC(=C4)C5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C24H27NO3/c26-21-3-1-18(19-2-4-22-23(9-19)28-14-27-22)8-20(21)13-25-24-10-15-5-16(11-24)7-17(6-15)12-24/h1-4,8-9,15-17,25-26H,5-7,10-14H2