[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 3-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 3-[(2-ketopyrrolidino)methyl]benzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)CN3CCCC3=O

InChI

InChI=1S/C25H28N2O5/c1-17(2)13-23(29)26-21-10-8-19(9-11-21)22(28)16-32-25(31)20-6-3-5-18(14-20)15-27-12-4-7-24(27)30/h3,5-6,8-11,14,17H,4,7,12-13,15-16H2,1-2H3,(H,26,29)