(1R)-1-(1-adamantyl)-N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]ethanamine

Systemtic Name: (1R)-1-(1-adamantyl)-N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]ethanamine Openeye Name: (1R)-1-(1-adamantyl)-N-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]ethanamine CAS Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]ethanamine IUPAC Name: (1R)-1-(1-adamantyl)-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]ethanamine Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(4-allyloxy-3-bromo-5-methoxy-benzyl)amine Formula: C23H32BrNO2 MolecularWeight: 434.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OCC=C)OC

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OCC=C)OC

InChI

InChI=1S/C23H32BrNO2/c1-4-5-27-22-20(24)9-19(10-21(22)26-3)14-25-15(2)23-11-16-6-17(12-23)8-18(7-16)13-23/h4,9-10,15-18,25H,1,5-8,11-14H2,2-3H3/t15-,16?,17?,18?,23?/m1/s1