[(E)-9-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-9-oxidanylidene-non-3-en-2-yl]boron

Systemtic Name: [(E)-9-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-9-oxidanylidene-non-3-en-2-yl]boron Openeye Name: [(E)-8-[(4-hydroxy-3-methoxy-phenyl)methylamino]-1-methyl-8-oxo-oct-2-enyl]boron CAS Name: [(E)-9-[(4-hydroxy-3-methoxyphenyl)methylamino]-9-oxonon-3-en-2-yl]boron IUPAC Name: [(E)-9-[(4-hydroxy-3-methoxyphenyl)methylamino]-9-oxonon-3-en-2-yl]boron Traditional Name: [(E)-8-keto-1-methyl-8-(vanillylamino)oct-2-enyl]boron Formula: C17H24BNO3 MolecularWeight: 301.18836

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

[B]C(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C17H24BNO3/c1-13(18)7-5-3-4-6-8-17(21)19-12-14-9-10-15(20)16(11-14)22-2/h5,7,9-11,13,20H,3-4,6,8,12H2,1-2H3,(H,19,21)/b7-5+