methyl 4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[4-(isovalerylamino)phenyl]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5/c1-14(2)12-20(24)22-17-8-4-15(5-9-17)19(23)13-27-18-10-6-16(7-11-18)21(25)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,24)