ethyl 3-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]coumarilic acid ethyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-4-30-25(29)23-19(18-12-8-9-13-20(18)32-23)15-31-24(28)22(16(2)3)26-21(27)14-17-10-6-5-7-11-17/h5-13,16,22H,4,14-15H2,1-3H3,(H,26,27)/t22-/m0/s1