1-[4-[[3-(3-isocyanophenyl)-5-methyl-phenyl]methoxymethyl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(3-isocyanophenyl)-5-methyl-phenyl]methoxymethyl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[[3-(3-isocyanophenyl)-5-methyl-phenyl]methoxymethyl]-1-piperidyl]ethanone CAS Name: 1-[4-[[3-(3-isocyanophenyl)-5-methylphenyl]methoxymethyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[[3-(3-isocyanophenyl)-5-methylphenyl]methoxymethyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[[3-(3-isocyanophenyl)-5-methyl-benzyl]oxymethyl]piperidino]ethanone Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)[N+]#[C-])COCC3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)[N+]#[C-])COCC3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H26N2O2/c1-17-11-20(13-22(12-17)21-5-4-6-23(14-21)24-3)16-27-15-19-7-9-25(10-8-19)18(2)26/h4-6,11-14,19H,7-10,15-16H2,1-2H3