[2-(aminomethyl)phenyl]boronic acid; 2-methylprop-2-enamide; 1-methyl-2-propyl-anthracene

Systemtic Name: [2-(aminomethyl)phenyl]boronic acid; 2-methylprop-2-enamide; 1-methyl-2-propyl-anthracene Openeye Name: [2-(aminomethyl)phenyl]boronic acid; 2-methylprop-2-enamide; 1-methyl-2-propyl-anthracene CAS Name: [2-(aminomethyl)phenyl]boronic acid; 2-methyl-2-propenamide; 1-methyl-2-propylanthracene IUPAC Name: [2-(aminomethyl)phenyl]boronic acid; 2-methylprop-2-enamide; 1-methyl-2-propylanthracene Traditional Name: [2-(aminomethyl)phenyl]boronic acid; methacrylamide; 1-methyl-2-propyl-anthracene Formula: C29H35BN2O3 MolecularWeight: 470.4108

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1CN)(O)O.CCCC1=C(C2=CC3=CC=CC=C3C=C2C=C1)C.CC(=C)C(=O)N

Isomeric SMILES

B(C1=CC=CC=C1CN)(O)O.CCCC1=C(C2=CC3=CC=CC=C3C=C2C=C1)C.CC(=C)C(=O)N

InChI

InChI=1S/C18H18.C7H10BNO2.C4H7NO/c1-3-6-14-9-10-17-11-15-7-4-5-8-16(15)12-18(17)13(14)2;9-5-6-3-1-2-4-7(6)8(10)11;1-3(2)4(5)6/h4-5,7-12H,3,6H2,1-2H3;1-4,10-11H,5,9H2;1H2,2H3,(H2,5,6)