methyl-[4-[3-methylbut-2-enyl-(4-phenethylphenyl)amino]piperidin-1-yl]borinic acid

Systemtic Name: methyl-[4-[3-methylbut-2-enyl-(4-phenethylphenyl)amino]piperidin-1-yl]borinic acid Openeye Name: methyl-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]-1-piperidyl]borinic acid CAS Name: methyl-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]-1-piperidinyl]borinic acid IUPAC Name: methyl-[4-[N-(3-methylbut-2-enyl)-4-phenethylanilino]piperidin-1-yl]borinic acid Traditional Name: methyl-[4-[N-(3-methylbut-2-enyl)-4-phenethyl-anilino]piperidino]borinic acid Formula: C25H35BN2O MolecularWeight: 390.3692

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)CCC3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C25H35BN2O/c1-21(2)15-20-28(25-16-18-27(19-17-25)26(3)29)24-13-11-23(12-14-24)10-9-22-7-5-4-6-8-22/h4-8,11-15,25,29H,9-10,16-20H2,1-3H3