(1-oxidanylidene-1-phenyl-pentan-2-yl) 4-[[4-(2,6-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 4-[[4-(2,6-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 1-benzoylbutyl 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxo-butanoate CAS Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoate Traditional Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-keto-butyric acid 1-benzoylbutyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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