(3S,5R)-N-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: (3S,5R)-N-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(2-benzyloxy-5-chloro-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: (2-benzoxy-5-chloro-benzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]amine Formula: C26H32ClNO MolecularWeight: 409.99138

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5)C

InChI

InChI=1S/C26H32ClNO/c1-24-11-20-12-25(2,16-24)18-26(13-20,17-24)28-14-21-10-22(27)8-9-23(21)29-15-19-6-4-3-5-7-19/h3-10,20,28H,11-18H2,1-2H3/t20?,24-,25+,26?