methyl-[4-[3-methylbutyl-(4-methylphenyl)amino]piperidin-1-yl]borinic acid

Systemtic Name: methyl-[4-[3-methylbutyl-(4-methylphenyl)amino]piperidin-1-yl]borinic acid Openeye Name: [4-(N-isopentyl-4-methyl-anilino)-1-piperidyl]-methyl-borinic acid CAS Name: methyl-[4-[4-methyl-N-(3-methylbutyl)anilino]-1-piperidinyl]borinic acid IUPAC Name: methyl-[4-[4-methyl-N-(3-methylbutyl)anilino]piperidin-1-yl]borinic acid Traditional Name: [4-(N-isoamyl-4-methyl-anilino)piperidino]-methyl-borinic acid Formula: C18H31BN2O MolecularWeight: 302.26254

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)N(CCC(C)C)C2=CC=C(C=C2)C)O

Isomeric SMILES

B(C)(N1CCC(CC1)N(CCC(C)C)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H31BN2O/c1-15(2)9-14-21(17-7-5-16(3)6-8-17)18-10-12-20(13-11-18)19(4)22/h5-8,15,18,22H,9-14H2,1-4H3