4-(1-adamantyloxy)-N-but-2-ynyl-N-methyl-aniline

Systemtic Name: 4-(1-adamantyloxy)-N-but-2-ynyl-N-methyl-aniline Openeye Name: 4-(1-adamantyloxy)-N-but-2-ynyl-N-methyl-aniline CAS Name: 4-(1-adamantyloxy)-N-but-2-ynyl-N-methylaniline IUPAC Name: 4-(1-adamantyloxy)-N-but-2-ynyl-N-methylaniline Traditional Name: [4-(1-adamantyloxy)phenyl]-but-2-ynyl-methyl-amine Formula: C21H27NO MolecularWeight: 309.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(C)C1=CC=C(C=C1)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC#CCN(C)C1=CC=C(C=C1)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO/c1-3-4-9-22(2)19-5-7-20(8-6-19)23-21-13-16-10-17(14-21)12-18(11-16)15-21/h5-8,16-18H,9-15H2,1-2H3