1-[1-[3-[4-(1-adamantyl)-3-chloranyl-phenyl]prop-1-en-2-yl]cyclohexyl]ethanamine

Systemtic Name: 1-[1-[3-[4-(1-adamantyl)-3-chloranyl-phenyl]prop-1-en-2-yl]cyclohexyl]ethanamine Openeye Name: 1-[1-[1-[[4-(1-adamantyl)-3-chloro-phenyl]methyl]vinyl]cyclohexyl]ethanamine CAS Name: 1-[1-[3-[4-(1-adamantyl)-3-chlorophenyl]prop-1-en-2-yl]cyclohexyl]ethanamine IUPAC Name: 1-[1-[3-[4-(1-adamantyl)-3-chlorophenyl]prop-1-en-2-yl]cyclohexyl]ethanamine Traditional Name: 1-[1-[1-[4-(1-adamantyl)-3-chloro-benzyl]vinyl]cyclohexyl]ethylamine Formula: C27H38ClN MolecularWeight: 412.05032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCCC1)C(=C)CC2=CC(=C(C=C2)C34CC5CC(C3)CC(C5)C4)Cl)N

Isomeric SMILES

CC(C1(CCCCC1)C(=C)CC2=CC(=C(C=C2)C34CC5CC(C3)CC(C5)C4)Cl)N

InChI

InChI=1S/C27H38ClN/c1-18(27(19(2)29)8-4-3-5-9-27)10-20-6-7-24(25(28)14-20)26-15-21-11-22(16-26)13-23(12-21)17-26/h6-7,14,19,21-23H,1,3-5,8-13,15-17,29H2,2H3