[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C25H31NO4/c1-4-5-6-7-20-10-12-21(13-11-20)23(27)16-17-24(28)30-19(3)25(29)26-22-14-8-18(2)9-15-22/h8-15,19H,4-7,16-17H2,1-3H3,(H,26,29)/t19-/m1/s1