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

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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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=C(C=C2)C=O

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-14(2)11-20(25)22-18-9-7-16(8-10-18)19(24)13-27-21(26)17-5-3-15(12-23)4-6-17/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)