methyl 2-[1-azanyl-2-(hydroxymethyl)-1-oxidanylidene-4-phenyl-butan-2-yl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 2-[1-azanyl-2-(hydroxymethyl)-1-oxidanylidene-4-phenyl-butan-2-yl]-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-[1-carbamoyl-1-(hydroxymethyl)-3-phenyl-propyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[1-amino-2-(hydroxymethyl)-1-oxo-4-phenylbutan-2-yl]-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-amino-2-(hydroxymethyl)-1-oxo-4-phenylbutan-2-yl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-(1-carbamoyl-1-methylol-3-phenyl-propyl)-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=N2)C(CCC3=CC=CC=C3)(CO)C(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=N2)C(CCC3=CC=CC=C3)(CO)C(=O)N

InChI

InChI=1S/C20H20N2O5/c1-26-17(24)14-7-8-16-15(11-14)22-19(27-16)20(12-23,18(21)25)10-9-13-5-3-2-4-6-13/h2-8,11,23H,9-10,12H2,1H3,(H2,21,25)