(3R,5S)-3,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]adamantan-1-amine

Systemtic Name: (3R,5S)-3,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]adamantan-1-amine Openeye Name: (3R,5S)-N-[(4-allyloxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3R,5S)-3,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1-adamantanamine IUPAC Name: (3R,5S)-3,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]adamantan-1-amine Traditional Name: (4-allyloxybenzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]amine Formula: C22H31NO MolecularWeight: 325.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=C(C=C4)OCC=C)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC=C(C=C4)OCC=C)C

InChI

InChI=1S/C22H31NO/c1-4-9-24-19-7-5-17(6-8-19)13-23-22-12-18-10-20(2,15-22)14-21(3,11-18)16-22/h4-8,18,23H,1,9-16H2,2-3H3/t18?,20-,21+,22?