ethyl 3-[[(2S)-2-(phenylcarbamoylamino)propanoyl]oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(phenylcarbamoylamino)propanoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(phenylcarbamoylamino)propanoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(2S)-2-[[anilino(oxo)methyl]amino]-1-oxopropoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(phenylcarbamoylamino)propanoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2S)-2-(phenylcarbamoylamino)propanoyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C(C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-3-28-21(26)19-17(16-11-7-8-12-18(16)30-19)13-29-20(25)14(2)23-22(27)24-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,23,24,27)/t14-/m0/s1