tert-butyl 3-[5-(3-methoxy-3-oxidanylidene-propyl)-1-benzofuran-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[5-(3-methoxy-3-oxidanylidene-propyl)-1-benzofuran-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-[5-(3-methoxy-3-oxo-propyl)benzofuran-2-yl]propanoate CAS Name: 3-[5-(3-methoxy-3-oxopropyl)-2-benzofuranyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(3-methoxy-3-oxopropyl)-1-benzofuran-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[5-(3-keto-3-methoxy-propyl)benzofuran-2-yl]propionic acid tert-butyl ester Formula: C27H31NO7 MolecularWeight: 481.53754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC2=C(O1)C=CC(=C2)CCC(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC2=C(O1)C=CC(=C2)CCC(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO7/c1-27(2,3)35-25(30)22(28-26(31)33-17-19-8-6-5-7-9-19)16-21-15-20-14-18(10-12-23(20)34-21)11-13-24(29)32-4/h5-10,12,14-15,22H,11,13,16-17H2,1-4H3,(H,28,31)