(1-oxidanylidene-1-phenyl-butan-2-yl) 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 1-benzoylpropyl 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-keto-valeric acid 1-benzoylpropyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)OC3=C(C=CC=C3C)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)OC3=C(C=CC=C3C)C

InChI

InChI=1S/C29H31NO5/c1-4-25(28(33)22-12-6-5-7-13-22)35-27(32)15-9-14-26(31)30-23-16-18-24(19-17-23)34-29-20(2)10-8-11-21(29)3/h5-8,10-13,16-19,25H,4,9,14-15H2,1-3H3,(H,30,31)