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

Systemtic Name: ethyl 3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxymethyl]coumarilic acid ethyl ester Formula: C29H27NO7 MolecularWeight: 501.52718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO7/c1-2-34-28(32)26-23(22-15-9-10-16-25(22)37-26)19-35-27(31)24(17-20-11-5-3-6-12-20)30-29(33)36-18-21-13-7-4-8-14-21/h3-16,24H,2,17-19H2,1H3,(H,30,33)/t24-/m0/s1