methyl (E)-3-[(3R,7R)-3,7-diphenyl-1-(phenylmethyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[(3R,7R)-3,7-diphenyl-1-(phenylmethyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl]prop-2-enoate Openeye Name: methyl (E)-3-[(3R,7R)-1-benzyl-3,7-diphenyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl]prop-2-enoate CAS Name: (E)-3-[(3R,7R)-3,7-diphenyl-1-(phenylmethyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(3R,7R)-1-benzyl-3,7-diphenyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl]prop-2-enoate Traditional Name: (E)-3-[(3R,7R)-1-benzyl-3,7-diphenyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-5-yl]acrylic acid methyl ester Formula: C27H28BNO4 MolecularWeight: 441.32652

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Descriptors Computed from Structure

Canonical SMILES:

[B-]12([N+](CC(O1)C3=CC=CC=C3)(CC(O2)C4=CC=CC=C4)CC5=CC=CC=C5)C=CC(=O)OC

Isomeric SMILES

[B-]12([N+](C[C@H](O1)C3=CC=CC=C3)(C[C@H](O2)C4=CC=CC=C4)CC5=CC=CC=C5)/C=C/C(=O)OC

InChI

InChI=1S/C27H28BNO4/c1-31-27(30)17-18-28-29(19-22-11-5-2-6-12-22,20-25(32-28)23-13-7-3-8-14-23)21-26(33-28)24-15-9-4-10-16-24/h2-18,25-26H,19-21H2,1H3/b18-17+/t25-,26-,28?,29?/m0/s1