[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]quinolin-2-yl]boronic acid

Systemtic Name: [4-[[4-(aminomethyl)phenyl]methylcarbamoyl]quinolin-2-yl]boronic acid Openeye Name: [4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-quinolyl]boronic acid CAS Name: [4-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-2-quinolinyl]boronic acid IUPAC Name: [4-[[4-(aminomethyl)phenyl]methylcarbamoyl]quinolin-2-yl]boronic acid Traditional Name: [4-[[4-(aminomethyl)benzyl]carbamoyl]-2-quinolyl]boronic acid Formula: C18H18BN3O3 MolecularWeight: 335.16482

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=C(C=C3)CN)(O)O

Isomeric SMILES

B(C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=C(C=C3)CN)(O)O

InChI

InChI=1S/C18H18BN3O3/c20-10-12-5-7-13(8-6-12)11-21-18(23)15-9-17(19(24)25)22-16-4-2-1-3-14(15)16/h1-9,24-25H,10-11,20H2,(H,21,23)