dimethyl 4-[3-(2-phenylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[3-(2-phenylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[3-(2-phenylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate CAS Name: 4-[3-[(1-oxo-2-phenylbutyl)amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[3-(2-phenylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate Traditional Name: 4-[3-(2-phenylbutanoylamino)phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)OC3=CC(=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)OC3=CC(=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H25NO6/c1-4-21(17-9-6-5-7-10-17)24(28)27-18-11-8-12-19(15-18)33-20-13-14-22(25(29)31-2)23(16-20)26(30)32-3/h5-16,21H,4H2,1-3H3,(H,27,28)