[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC=C2C(C)C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC=C2C(C)C)C

InChI

InChI=1S/C25H31NO4/c1-5-7-19-10-12-20(13-11-19)22(27)14-15-24(29)30-16-23(28)26-25-18(4)8-6-9-21(25)17(2)3/h6,8-13,17H,5,7,14-16H2,1-4H3,(H,26,28)