[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

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