methyl 3-[[5-methyl-2-[3-(3-methylbutanoylamino)phenyl]-1,3-oxazol-4-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[5-methyl-2-[3-(3-methylbutanoylamino)phenyl]-1,3-oxazol-4-yl]methylcarbamoyl]benzoate Openeye Name: methyl 3-[[5-methyl-2-[3-(3-methylbutanoylamino)phenyl]oxazol-4-yl]methylcarbamoyl]benzoate CAS Name: 3-[[[5-methyl-2-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-4-oxazolyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-methyl-2-[3-(3-methylbutanoylamino)phenyl]-1,3-oxazol-4-yl]methylcarbamoyl]benzoate Traditional Name: 3-[[2-[3-(isovalerylamino)phenyl]-5-methyl-oxazol-4-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)NC(=O)CC(C)C)CNC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)NC(=O)CC(C)C)CNC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H27N3O5/c1-15(2)11-22(29)27-20-10-6-8-18(13-20)24-28-21(16(3)33-24)14-26-23(30)17-7-5-9-19(12-17)25(31)32-4/h5-10,12-13,15H,11,14H2,1-4H3,(H,26,30)(H,27,29)