N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]adamantan-2-amine

Systemtic Name: N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]adamantan-2-amine Openeye Name: N-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl]adamantan-2-amine CAS Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-adamantanamine IUPAC Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine Traditional Name: 2-adamantyl-(4-benzoxy-3-chloro-5-ethoxy-benzyl)amine Formula: C26H32ClNO2 MolecularWeight: 425.99078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C26H32ClNO2/c1-2-29-24-14-20(13-23(27)26(24)30-16-17-6-4-3-5-7-17)15-28-25-21-9-18-8-19(11-21)12-22(25)10-18/h3-7,13-14,18-19,21-22,25,28H,2,8-12,15-16H2,1H3