[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C26H23NO7 MolecularWeight: 461.46332

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO7/c28-22(20-11-12-23-24(14-20)34-17-33-23)16-31-25(29)21(13-18-7-3-1-4-8-18)27-26(30)32-15-19-9-5-2-6-10-19/h1-12,14,21H,13,15-17H2,(H,27,30)