3,3-bis(1,3-benzodioxol-5-yl)-2-(2,2-diphenylethanoylamino)propanoic acid

Systemtic Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-(2,2-diphenylethanoylamino)propanoic acid Openeye Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]propanoic acid CAS Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanoic acid IUPAC Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]propanoic acid Traditional Name: 3,3-bis(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]propionic acid Formula: C31H25NO7 MolecularWeight: 523.5327

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)C(C(=O)O)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)C(C(=O)O)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H25NO7/c33-30(28(19-7-3-1-4-8-19)20-9-5-2-6-10-20)32-29(31(34)35)27(21-11-13-23-25(15-21)38-17-36-23)22-12-14-24-26(16-22)39-18-37-24/h1-16,27-29H,17-18H2,(H,32,33)(H,34,35)