7-benzamido-2-[methyl(oxidanyl)boranyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 7-benzamido-2-[methyl(oxidanyl)boranyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 7-benzamido-2-[hydroxy(methyl)boranyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 7-benzamido-2-[hydroxy(methyl)boranyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 7-benzamido-2-[hydroxy(methyl)boranyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-benzamido-2-[hydroxy(methyl)boranyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H19BN2O4 MolecularWeight: 338.16546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CC2=C(CC1C(=O)O)C=CC(=C2)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CC2=C(CC1C(=O)O)C=CC(=C2)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C18H19BN2O4/c1-19(25)21-11-14-9-15(8-7-13(14)10-16(21)18(23)24)20-17(22)12-5-3-2-4-6-12/h2-9,16,25H,10-11H2,1H3,(H,20,22)(H,23,24)