(phenylmethyl) N-[2-(4-oxaldehydoylphenoxy)ethyl]carbamate hydrate

Systemtic Name: (phenylmethyl) N-[2-(4-oxaldehydoylphenoxy)ethyl]carbamate hydrate Openeye Name: benzyl N-[2-(4-oxaldehydoylphenoxy)ethyl]carbamate hydrate CAS Name: N-[2-(4-oxaldehydoylphenoxy)ethyl]carbamic acid (phenylmethyl) ester hydrate IUPAC Name: benzyl N-[2-(4-oxaldehydoylphenoxy)ethyl]carbamate hydrate Traditional Name: N-[2-(4-glyoxyloylphenoxy)ethyl]carbamic acid benzyl ester hydrate Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCOC2=CC=C(C=C2)C(=O)C=O.O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCOC2=CC=C(C=C2)C(=O)C=O.O

InChI

InChI=1S/C18H17NO5.H2O/c20-12-17(21)15-6-8-16(9-7-15)23-11-10-19-18(22)24-13-14-4-2-1-3-5-14;/h1-9,12H,10-11,13H2,(H,19,22);1H2