methyl (2S)-3-(2-oxidanyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(2-oxidanyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(2-hydroxy-3-phenyl-2,3-dihydrobenzofuran-5-yl)propanoate CAS Name: (2S)-3-(2-hydroxy-3-phenyl-2,3-dihydrobenzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(2-hydroxy-3-phenyl-2,3-dihydro-1-benzofuran-5-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(2-hydroxy-3-phenyl-coumaran-5-yl)propionic acid methyl ester Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)OC(C2C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC2=C(C=C1)OC(C2C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO6/c1-31-24(28)21(27-26(30)32-16-17-8-4-2-5-9-17)15-18-12-13-22-20(14-18)23(25(29)33-22)19-10-6-3-7-11-19/h2-14,21,23,25,29H,15-16H2,1H3,(H,27,30)/t21-,23?,25?/m0/s1